(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H22ClN3O2 — CID 110086759

IUPAC(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-2-24-18(25)11-10-16(19(24)15-8-3-4-9-17(15)21)20(26)23-13-14-7-5-6-12-22-14/h3-9,12,16,19H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m1/s1
InChIKeyYERLUVQPKBVJRX-APWZRJJASA-N
MW371.87 g/mol
LogP3.35
Rot. Bonds5

About (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 110086759) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID110086759
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-2-24-18(25)11-10-16(19(24)15-8-3-4-9-17(15)21)20(26)23-13-14-7-5-6-12-22-14/h3-9,12,16,19H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m1/s1
InChIKeyYERLUVQPKBVJRX-APWZRJJASA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086760
(2R,3R)-N-benzyl-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxamide
CID 110086831
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 110087575
(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 51982847
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155900898
(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110087619
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42814418
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110086940
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 110087065
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110087483
(2R,3R)-N-cyclopentyl-1-ethyl-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 110086897

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 110086759) is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCc2ccccn2)[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YERLUVQPKBVJRX-APWZRJJASA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-24-18(25)11-10-16(19(24)15-8-3-4-9-17(15)21)20(26)23-13-14-7-5-6-12-22-14/h3-9,12,16,19H,2,10-11,13H2,1H3,(H,23,26)/t16-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110086759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).