1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid

C15H17Cl2NO3 — CID 114427256

IUPAC1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)c2cccc(Cl)c2Cl)C(C(=O)O)C1
InChIInChI=1S/C15H17Cl2NO3/c1-2-9-6-7-18(12(8-9)15(20)21)14(19)10-4-3-5-11(16)13(10)17/h3-5,9,12H,2,6-8H2,1H3,(H,20,21)
InChIKeyHCVJABYAFCCXMT-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.71
Rot. Bonds3

About 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid

1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114427256) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114427256
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)c2cccc(Cl)c2Cl)C(C(=O)O)C1
InChIInChI=1S/C15H17Cl2NO3/c1-2-9-6-7-18(12(8-9)15(20)21)14(19)10-4-3-5-11(16)13(10)17/h3-5,9,12H,2,6-8H2,1H3,(H,20,21)
InChIKeyHCVJABYAFCCXMT-UHFFFAOYSA-N
XLogP3.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-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

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 103352346
4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 114427000
1-[2-(3-chlorophenyl)acetyl]-4-ethylpiperidine-2-carboxylic acid
CID 114426986
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
CID 103352294
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 103352121
1-[(2-chloro-6-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431245
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
1-(3-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427570
4-ethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 45043186
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
1-(3-amino-4-methylbenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429700

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid (CID 114427256) is 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)c2cccc(Cl)c2Cl)C(C(=O)O)C1.
What is the InChIKey of 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is HCVJABYAFCCXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-2-9-6-7-18(12(8-9)15(20)21)14(19)10-4-3-5-11(16)13(10)17/h3-5,9,12H,2,6-8H2,1H3,(H,20,21).
What are the key properties of 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid?
1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 330.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).