1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid

C19H18ClNO3S — CID 120512319

IUPAC1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1
InChIInChI=1S/C19H18ClNO3S/c20-14-6-7-17(25-15-4-2-1-3-5-15)16(12-14)18(22)21-10-8-13(9-11-21)19(23)24/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyLZGUJUQTTKAGNW-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.43
Rot. Bonds4

About 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid

1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid (PubChem CID 120512319) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid
PubChem CID120512319
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1
InChIInChI=1S/C19H18ClNO3S/c20-14-6-7-17(25-15-4-2-1-3-5-15)16(12-14)18(22)21-10-8-13(9-11-21)19(23)24/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyLZGUJUQTTKAGNW-UHFFFAOYSA-N
XLogP4.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-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-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827
(3R)-1-(2-bromo-5-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 124677279
(4-aminopiperidin-1-yl)-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methanone;hydrochloride
CID 119376563
1-[[4-(2-chlorophenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078037
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
1-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 62659336
(3R)-1-(5-chloro-2-ethylsulfanylbenzoyl)pyrrolidine-3-carboxamide
CID 97030108
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone
CID 119546478
1-[(2-phenylsulfanylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001277

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid (CID 120512319) is 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc(Cl)ccc2Sc2ccccc2)CC1.
What is the InChIKey of 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid?
The InChIKey is LZGUJUQTTKAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c20-14-6-7-17(25-15-4-2-1-3-5-15)16(12-14)18(22)21-10-8-13(9-11-21)19(23)24/h1-7,12-13H,8-11H2,(H,23,24).
What are the key properties of 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid?
1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid has a molecular weight of 375.88 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 120512319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).