N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

C28H35ClN4O3 — CID 93200095

IUPACN-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)N2CCCC[C@@H]2C)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C28H35ClN4O3/c1-19-9-11-22(12-10-19)26(34)31-25(27(35)33-15-4-3-6-20(33)2)21-13-16-32(17-14-21)28(36)30-24-8-5-7-23(29)18-24/h5,7-12,18,20-21,25H,3-4,6,13-17H2,1-2H3,(H,30,36)(H,31,34)/t20-,25+/m0/s1
InChIKeyISIWGKWBCFMCEM-NBGIEHNGSA-N
MW511.07 g/mol
LogP5.09
Rot. Bonds5

About N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 93200095) has the molecular formula C28H35ClN4O3 and a molecular weight of 511.07 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID93200095
Molecular FormulaC28H35ClN4O3
Molecular Weight511.07 g/mol
Exact Mass510.24
IUPAC NameN-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)N2CCCC[C@@H]2C)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C28H35ClN4O3/c1-19-9-11-22(12-10-19)26(34)31-25(27(35)33-15-4-3-6-20(33)2)21-13-16-32(17-14-21)28(36)30-24-8-5-7-23(29)18-24/h5,7-12,18,20-21,25H,3-4,6,13-17H2,1-2H3,(H,30,36)(H,31,34)/t20-,25+/m0/s1
InChIKeyISIWGKWBCFMCEM-NBGIEHNGSA-N
XLogP5.09
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.07
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 93200094
4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200092
4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 46020584
4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020588
4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200031
N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
CID 93200267
4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200024
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
4-[1-(1,3-benzodioxole-5-carbonylamino)-2-oxo-2-piperidin-1-ylethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46020701

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (CID 93200095) is N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC[C@@H]2C)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is ISIWGKWBCFMCEM-NBGIEHNGSA-N. The full InChI is InChI=1S/C28H35ClN4O3/c1-19-9-11-22(12-10-19)26(34)31-25(27(35)33-15-4-3-6-20(33)2)21-13-16-32(17-14-21)28(36)30-24-8-5-7-23(29)18-24/h5,7-12,18,20-21,25H,3-4,6,13-17H2,1-2H3,(H,30,36)(H,31,34)/t20-,25+/m0/s1.
What are the key properties of N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 511.07 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 93200095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).