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

C18H22ClNO3 — CID 2803155

IUPAC2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CCCCC2)C1c1ccccc1Cl
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)
InChIKeyDDXHUKKFOWCFKU-UHFFFAOYSA-N
MW335.83 g/mol
LogP4.04
Rot. Bonds3

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

2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 2803155) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
PubChem CID2803155
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CCCCC2)C1c1ccccc1Cl
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)
InChIKeyDDXHUKKFOWCFKU-UHFFFAOYSA-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 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid (CID 2803155) is 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(C2CCCCC2)C1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is DDXHUKKFOWCFKU-UHFFFAOYSA-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).
What are the key properties of 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid?
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 2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 2803155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).