(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide

C31H32ClFN2O3 — CID 143820122

IUPAC(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(OC2CCCCC2)c([C@H]2NC(=O)C[C@@H](c3cccc(F)c3)C2C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C31H32ClFN2O3/c1-19-13-14-27(38-24-11-3-2-4-12-24)26(15-19)30-29(31(37)34-23-10-6-8-21(32)17-23)25(18-28(36)35-30)20-7-5-9-22(33)16-20/h5-10,13-17,24-25,29-30H,2-4,11-12,18H2,1H3,(H,34,37)(H,35,36)/t25-,29?,30+/m0/s1
InChIKeyIDXMYBHNFSHQTB-NIJCYXJWSA-N
MW535.06 g/mol
LogP7.10
Rot. Bonds6

About (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide

(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 143820122) has the molecular formula C31H32ClFN2O3 and a molecular weight of 535.06 g/mol. Its IUPAC name is (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
PubChem CID143820122
Molecular FormulaC31H32ClFN2O3
Molecular Weight535.06 g/mol
Exact Mass534.21
IUPAC Name(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(OC2CCCCC2)c([C@H]2NC(=O)C[C@@H](c3cccc(F)c3)C2C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C31H32ClFN2O3/c1-19-13-14-27(38-24-11-3-2-4-12-24)26(15-19)30-29(31(37)34-23-10-6-8-21(32)17-23)25(18-28(36)35-30)20-7-5-9-22(33)16-20/h5-10,13-17,24-25,29-30H,2-4,11-12,18H2,1H3,(H,34,37)(H,35,36)/t25-,29?,30+/m0/s1
InChIKeyIDXMYBHNFSHQTB-NIJCYXJWSA-N
XLogP7.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.06
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 143819947
(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 143819937
(2S,4R)-N,4-bis(3-chlorophenyl)-2-(2-hydroxy-5-methylphenyl)-6-oxopiperidine-3-carboxamide;ethane
CID 143819886
(2R,3S,4S)-4-(5-chlorocyclohexa-2,4-dien-1-yl)-N-(3-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 173476221
chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 143538627
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
(4S,5R)-4-(2-cyclopentyloxyphenyl)-6-methylidene-N-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide
CID 2213817
N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide
CID 143823481
1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151076
N-(3-chlorophenyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 52704421
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide (CID 143820122) is (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(OC2CCCCC2)c([C@H]2NC(=O)C[C@@H](c3cccc(F)c3)C2C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is IDXMYBHNFSHQTB-NIJCYXJWSA-N. The full InChI is InChI=1S/C31H32ClFN2O3/c1-19-13-14-27(38-24-11-3-2-4-12-24)26(15-19)30-29(31(37)34-23-10-6-8-21(32)17-23)25(18-28(36)35-30)20-7-5-9-22(33)16-20/h5-10,13-17,24-25,29-30H,2-4,11-12,18H2,1H3,(H,34,37)(H,35,36)/t25-,29?,30+/m0/s1.
What are the key properties of (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide?
(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 535.06 g/mol, XLogP of 7.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 143820122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).