(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

C21H21N3O3 — CID 95740324

IUPAC(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cc1
InChIInChI=1S/C21H21N3O3/c1-24-19(25)11-10-18(20(24)15-6-8-17(27-2)9-7-15)21(26)23-16-5-3-4-14(12-16)13-22/h3-9,12,18,20H,10-11H2,1-2H3,(H,23,26)/t18-,20-/m1/s1
InChIKeyQJWGNLBQEHYBDU-UYAOXDASSA-N
MW363.42 g/mol
LogP3.12
Rot. Bonds4

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

(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 95740324) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID95740324
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cc1
InChIInChI=1S/C21H21N3O3/c1-24-19(25)11-10-18(20(24)15-6-8-17(27-2)9-7-15)21(26)23-16-5-3-4-14(12-16)13-22/h3-9,12,18,20H,10-11H2,1-2H3,(H,23,26)/t18-,20-/m1/s1
InChIKeyQJWGNLBQEHYBDU-UYAOXDASSA-N
XLogP3.12
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740327
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2R,3R)-N-(3-cyanophenyl)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740503
2-(4-methoxyphenyl)-1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-oxopiperidine-3-carboxamide
CID 171143889
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
2-(4-fluorophenyl)-N-(7-methoxyquinolin-3-yl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 110279403
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 22423048
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 95740324) is (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide is COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cc1.
What is the InChIKey of (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is QJWGNLBQEHYBDU-UYAOXDASSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24-19(25)11-10-18(20(24)15-6-8-17(27-2)9-7-15)21(26)23-16-5-3-4-14(12-16)13-22/h3-9,12,18,20H,10-11H2,1-2H3,(H,23,26)/t18-,20-/m1/s1.
What are the key properties of (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
(2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(3-cyanophenyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95740324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).