4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid

C16H22N2O6S — CID 120528098

IUPAC4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H22N2O6S/c1-2-11-25(23,24)17-13-6-4-3-5-12(13)14(19)18-9-7-16(22,8-10-18)15(20)21/h3-6,17,22H,2,7-11H2,1H3,(H,20,21)
InChIKeyJZQKKTVKJVMOAN-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.89
Rot. Bonds6

About 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid (PubChem CID 120528098) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid
PubChem CID120528098
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H22N2O6S/c1-2-11-25(23,24)17-13-6-4-3-5-12(13)14(19)18-9-7-16(22,8-10-18)15(20)21/h3-6,17,22H,2,7-11H2,1H3,(H,20,21)
InChIKeyJZQKKTVKJVMOAN-UHFFFAOYSA-N
XLogP0.89
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]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

6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514603
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 120748480
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
1-(3-bromo-2-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250906
4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
CID 119251922
8-(propylsulfonylamino)naphthalene-1-carboxylic acid
CID 71683584
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2983757

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid (CID 120528098) is 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid is CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is JZQKKTVKJVMOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-2-11-25(23,24)17-13-6-4-3-5-12(13)14(19)18-9-7-16(22,8-10-18)15(20)21/h3-6,17,22H,2,7-11H2,1H3,(H,20,21).
What are the key properties of 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).