(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide

C19H21N3O2 — CID 125140347

IUPAC(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
SMILESCc1ccc([C@H](NC(=O)[C@H]2CCCC(=O)N2)c2ccccn2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-8-10-14(11-9-13)18(15-5-2-3-12-20-15)22-19(24)16-6-4-7-17(23)21-16/h2-3,5,8-12,16,18H,4,6-7H2,1H3,(H,21,23)(H,22,24)/t16-,18+/m1/s1
InChIKeyJMJFBHWNBNMKQN-AEFFLSMTSA-N
MW323.40 g/mol
LogP2.26
Rot. Bonds4

About (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide

(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide (PubChem CID 125140347) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
PubChem CID125140347
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
SMILESCc1ccc([C@H](NC(=O)[C@H]2CCCC(=O)N2)c2ccccn2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-8-10-14(11-9-13)18(15-5-2-3-12-20-15)22-19(24)16-6-4-7-17(23)21-16/h2-3,5,8-12,16,18H,4,6-7H2,1H3,(H,21,23)(H,22,24)/t16-,18+/m1/s1
InChIKeyJMJFBHWNBNMKQN-AEFFLSMTSA-N
XLogP2.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140349
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide
CID 125140399
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146129699
4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 145107639
1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 51152076
N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
CID 126799110
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
CID 110362898
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide (CID 125140347) is (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide is Cc1ccc([C@H](NC(=O)[C@H]2CCCC(=O)N2)c2ccccn2)cc1.
What is the InChIKey of (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is JMJFBHWNBNMKQN-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-8-10-14(11-9-13)18(15-5-2-3-12-20-15)22-19(24)16-6-4-7-17(23)21-16/h2-3,5,8-12,16,18H,4,6-7H2,1H3,(H,21,23)(H,22,24)/t16-,18+/m1/s1.
What are the key properties of (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 125140347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).