1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid

C12H12ClNO3 — CID 10422408

IUPAC1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H12ClNO3/c13-9-2-4-10(5-3-9)14-7-8(12(16)17)1-6-11(14)15/h2-5,8H,1,6-7H2,(H,16,17)
InChIKeyWFFFYHPNWKWFLN-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.17
Rot. Bonds2

About 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid

1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 10422408) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID10422408
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H12ClNO3/c13-9-2-4-10(5-3-9)14-7-8(12(16)17)1-6-11(14)15/h2-5,8H,1,6-7H2,(H,16,17)
InChIKeyWFFFYHPNWKWFLN-UHFFFAOYSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62302561
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137739
1-[4-(2,5-dichlorophenyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166398697
1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
CID 115379106
1-[1-(4-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354042
(3S)-1-[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703381
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid (CID 10422408) is 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is WFFFYHPNWKWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c13-9-2-4-10(5-3-9)14-7-8(12(16)17)1-6-11(14)15/h2-5,8H,1,6-7H2,(H,16,17).
What are the key properties of 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid?
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 253.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 10422408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).