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

C18H22ClNO3 — CID 6928851

IUPAC(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C18H22ClNO3/c19-15-9-5-4-8-13(15)17-14(18(22)23)10-11-16(21)20(17)12-6-2-1-3-7-12/h4-5,8-9,12,14,17H,1-3,6-7,10-11H2,(H,22,23)/t14-,17+/m1/s1
InChIKeyDDXHUKKFOWCFKU-PBHICJAKSA-N
MW335.83 g/mol
LogP4.04
Rot. Bonds3

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

(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 6928851) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
PubChem CID6928851
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C18H22ClNO3/c19-15-9-5-4-8-13(15)17-14(18(22)23)10-11-16(21)20(17)12-6-2-1-3-7-12/h4-5,8-9,12,14,17H,1-3,6-7,10-11H2,(H,22,23)/t14-,17+/m1/s1
InChIKeyDDXHUKKFOWCFKU-PBHICJAKSA-N
XLogP4.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid (CID 6928851) is (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is DDXHUKKFOWCFKU-PBHICJAKSA-N. The full InChI is InChI=1S/C18H22ClNO3/c19-15-9-5-4-8-13(15)17-14(18(22)23)10-11-16(21)20(17)12-6-2-1-3-7-12/h4-5,8-9,12,14,17H,1-3,6-7,10-11H2,(H,22,23)/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid?
(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 335.83 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 6928851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).