Name: Name:1-(4-Methylbenzoyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG00C011
Rating: 90 (10 reviews)

1-(4-Methylbenzoyl)piperidine-4-carboxylic acid

CAS No.:

401581-34-8

Catalog Number:

AG00C011

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$316

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Product Description

Catalog Number:

AG00C011

Chemical Name:

1-(4-Methylbenzoyl)piperidine-4-carboxylic acid

CAS Number:

401581-34-8

Molecular Formula:

C14H17NO3

Molecular Weight:

247.2897

MDL Number:

MFCD03015384

IUPAC Name:

1-(4-methylbenzoyl)piperidine-4-carboxylic acid

InChI:

InChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)13(16)15-8-6-12(7-9-15)14(17)18/h2-5,12H,6-9H2,1H3,(H,17,18)

InChI Key:

LTSJOPHCIJQZGZ-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)C)N1CCC(CC1)C(=O)O

Properties

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.294g/mol

Monoisotopic Mass:

247.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties