Home Carboxys 1-Piperazinecarboxylic acid, 4-[6-(forMylaMino)-3-pyridinyl]-, 1,1-diMethylethyl ester

1-Piperazinecarboxylic acid, 4-[6-(forMylaMino)-3-pyridinyl]-, 1,1-diMethylethyl ester

CAS No.:
733038-82-9
Catalog Number:
AG00FBY7
Molecular Formula:
C15H22N4O3
Molecular Weight:
306.3602
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Product Description
Catalog Number:
AG00FBY7
Chemical Name:
1-Piperazinecarboxylic acid, 4-[6-(forMylaMino)-3-pyridinyl]-, 1,1-diMethylethyl ester
CAS Number:
733038-82-9
Molecular Formula:
C15H22N4O3
Molecular Weight:
306.3602
MDL Number:
MFCD13184715
IUPAC Name:
tert-butyl 4-(6-formamidopyridin-3-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)19-8-6-18(7-9-19)12-4-5-13(16-10-12)17-11-20/h4-5,10-11H,6-9H2,1-3H3,(H,16,17,20)
InChI Key:
WNPFPJIBZZKZNB-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cn1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.169g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.366g/mol
Monoisotopic Mass:
306.169g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties