1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H23ClN2O2 — CID 45234331

IUPAC1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-15-2-4-16(5-3-15)12-23-21(26)18-8-11-20(25)24(14-18)13-17-6-9-19(22)10-7-17/h2-7,9-10,18H,8,11-14H2,1H3,(H,23,26)
InChIKeyNBGOESMONKMZGS-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.70
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45234331) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45234331
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-15-2-4-16(5-3-15)12-23-21(26)18-8-11-20(25)24(14-18)13-17-6-9-19(22)10-7-17/h2-7,9-10,18H,8,11-14H2,1H3,(H,23,26)
InChIKeyNBGOESMONKMZGS-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide
CID 45203519
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
1-[(4-chlorophenyl)methyl]-N-(2-cyclopentylethyl)-6-oxopiperidine-3-carboxamide
CID 45199770
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
(3R)-1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 25385822
1-[(4-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxopiperidine-3-carboxamide
CID 45245142
1-[(4-methylphenyl)methyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55899972
1-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817174
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 24817182
(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 97148223

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 45234331) is 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is NBGOESMONKMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-2-4-16(5-3-15)12-23-21(26)18-8-11-20(25)24(14-18)13-17-6-9-19(22)10-7-17/h2-7,9-10,18H,8,11-14H2,1H3,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45234331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).