1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid

C14H16ClNO3 — CID 55167027

IUPAC1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H16ClNO3/c1-14(13(18)19)7-2-8-16(9-14)12(17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,18,19)
InChIKeyLYQHIYYIFYAWTH-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.67
Rot. Bonds2

About 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid

1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 55167027) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID55167027
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H16ClNO3/c1-14(13(18)19)7-2-8-16(9-14)12(17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,18,19)
InChIKeyLYQHIYYIFYAWTH-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244
1-[2-(4-chlorophenyl)sulfanylacetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133499
1-(5-chlorofuran-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133539
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
1-[2-(4-chlorophenoxy)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133874
1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 115867016
1-(3-amino-4-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107813100

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid (CID 55167027) is 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is LYQHIYYIFYAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-14(13(18)19)7-2-8-16(9-14)12(17)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid?
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55167027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).