(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide

C20H27ClN2O2 — CID 26330034

IUPAC(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H27ClN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25)/t17-/m1/s1
InChIKeyYCBHKXAIZMYTBT-QGZVFWFLSA-N
MW362.90 g/mol
LogP3.78
Rot. Bonds5

About (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide

(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 26330034) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID26330034
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H27ClN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25)/t17-/m1/s1
InChIKeyYCBHKXAIZMYTBT-QGZVFWFLSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45174365
(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42591687
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 25379201
3-[[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 97077053
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 72914179
(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 42592436
1-[(4-chlorophenyl)methyl]-N-(2-cyclopentylethyl)-6-oxopiperidine-3-carboxamide
CID 45199770
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (CID 26330034) is (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YCBHKXAIZMYTBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 362.90 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26330034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).