(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

C14H16ClNO3 — CID 51982847

IUPAC(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-2-16-12(17)8-7-10(14(18)19)13(16)9-5-3-4-6-11(9)15/h3-6,10,13H,2,7-8H2,1H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyUTNODEZXXNTXPV-ZWNOBZJWSA-N
MW281.74 g/mol
LogP2.72
Rot. Bonds3

About (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 51982847) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID51982847
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c1-2-16-12(17)8-7-10(14(18)19)13(16)9-5-3-4-6-11(9)15/h3-6,10,13H,2,7-8H2,1H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyUTNODEZXXNTXPV-ZWNOBZJWSA-N
XLogP2.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
CID 110087313
(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-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
CID 6928851
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 110087575
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086882
2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 79584605
(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 16762508
(2S,3R)-2-(2,4-dichlorophenyl)-1-[(2S)-2-hydroxypropyl]-6-oxopiperidine-3-carboxylic acid
CID 95307475
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110087483
(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 16765267
(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086978

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid (CID 51982847) is (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid is CCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccccc1Cl.
What is the InChIKey of (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is UTNODEZXXNTXPV-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-2-16-12(17)8-7-10(14(18)19)13(16)9-5-3-4-6-11(9)15/h3-6,10,13H,2,7-8H2,1H3,(H,18,19)/t10-,13-/m1/s1.
What are the key properties of (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 51982847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).