(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide

C21H26N2O3S — CID 125177264

IUPAC(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc([C@H]2CCCN(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-6-4-7-17(12-15)18-8-5-11-23(14-18)21(24)22-20-13-19(27(3,25)26)10-9-16(20)2/h4,6-7,9-10,12-13,18H,5,8,11,14H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyNPMPLLOTSSSAIW-SFHVURJKSA-N
MW386.52 g/mol
LogP4.12
Rot. Bonds3

About (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide

(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 125177264) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID125177264
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc([C@H]2CCCN(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-6-4-7-17(12-15)18-8-5-11-23(14-18)21(24)22-20-13-19(27(3,25)26)10-9-16(20)2/h4,6-7,9-10,12-13,18H,5,8,11,14H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyNPMPLLOTSSSAIW-SFHVURJKSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 118790711
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
CID 125176909
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 118786871
(3S)-3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891221
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methyl-5-methylsulfonylphenyl)piperazine-1-carboxamide
CID 55698762
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide (CID 125177264) is (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc([C@H]2CCCN(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)C2)c1.
What is the InChIKey of (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is NPMPLLOTSSSAIW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-6-4-7-17(12-15)18-8-5-11-23(14-18)21(24)22-20-13-19(27(3,25)26)10-9-16(20)2/h4,6-7,9-10,12-13,18H,5,8,11,14H2,1-3H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide?
(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 125177264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).