benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate

C25H26N4O4 — CID 69146545

IUPACbenzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate
SMILESO=C(N[C@@H]1CCNC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)OCc1ccccc1
InChIInChI=1S/C25H26N4O4/c30-23-8-4-5-15-29(23)20-11-9-19(10-12-20)24(31)27-22-16-26-14-13-21(22)28-25(32)33-17-18-6-2-1-3-7-18/h1-12,15,21-22,26H,13-14,16-17H2,(H,27,31)(H,28,32)/t21-,22+/m1/s1
InChIKeyVASOZBAEFPCKMB-YADHBBJMSA-N
MW446.51 g/mol
LogP2.22
Rot. Bonds6

About benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate

benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate (PubChem CID 69146545) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate
PubChem CID69146545
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Namebenzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate
SMILESO=C(N[C@@H]1CCNC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)OCc1ccccc1
InChIInChI=1S/C25H26N4O4/c30-23-8-4-5-15-29(23)20-11-9-19(10-12-20)24(31)27-22-16-26-14-13-21(22)28-25(32)33-17-18-6-2-1-3-7-18/h1-12,15,21-22,26H,13-14,16-17H2,(H,27,31)(H,28,32)/t21-,22+/m1/s1
InChIKeyVASOZBAEFPCKMB-YADHBBJMSA-N
XLogP2.22
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
CID 142943619
N-[(2R)-2-[(4-methoxybenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 163680968
benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate
CID 164556146
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
CID 174789732
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-[2-(azetidin-3-yl)cyclobutyl]carbamate
CID 165350458

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate (CID 69146545) is benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate is O=C(N[C@@H]1CCNC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate?
The InChIKey is VASOZBAEFPCKMB-YADHBBJMSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-23-8-4-5-15-29(23)20-11-9-19(10-12-20)24(31)27-22-16-26-14-13-21(22)28-25(32)33-17-18-6-2-1-3-7-18/h1-12,15,21-22,26H,13-14,16-17H2,(H,27,31)(H,28,32)/t21-,22+/m1/s1.
What are the key properties of benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate?
benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate has a molecular weight of 446.51 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S,4R)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-4-yl]carbamate is sourced from PubChem (CID 69146545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).