(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

C20H22N2O3 — CID 29132160

IUPAC(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)C2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-22-18(23)13-12-17(19(22)14-6-4-3-5-7-14)20(24)21-15-8-10-16(25-2)11-9-15/h3-11,17,19H,12-13H2,1-2H3,(H,21,24)/t17-,19?/m1/s1
InChIKeyNMQKRTOXILMXPB-DUSLRRAJSA-N
MW338.41 g/mol
LogP3.24
Rot. Bonds4

About (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 29132160) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID29132160
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)C2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-22-18(23)13-12-17(19(22)14-6-4-3-5-7-14)20(24)21-15-8-10-16(25-2)11-9-15/h3-11,17,19H,12-13H2,1-2H3,(H,21,24)/t17-,19?/m1/s1
InChIKeyNMQKRTOXILMXPB-DUSLRRAJSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29138864
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide
CID 171143889
(2R,3S)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740327
(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740324
propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29135302
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91954117
N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 122137918

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (CID 29132160) is (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)C2c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is NMQKRTOXILMXPB-DUSLRRAJSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22-18(23)13-12-17(19(22)14-6-4-3-5-7-14)20(24)21-15-8-10-16(25-2)11-9-15/h3-11,17,19H,12-13H2,1-2H3,(H,21,24)/t17-,19?/m1/s1.
What are the key properties of (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 29132160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).