1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid

C15H21NO4S — CID 45156917

IUPAC1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
SMILESCC(C)S(=O)(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-11(2)21(19,20)14-7-5-13(6-8-14)16-9-3-4-12(10-16)15(17)18/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyLOUWCFNKNLVYQC-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid

1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid (PubChem CID 45156917) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
PubChem CID45156917
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
SMILESCC(C)S(=O)(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-11(2)21(19,20)14-7-5-13(6-8-14)16-9-3-4-12(10-16)15(17)18/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyLOUWCFNKNLVYQC-UHFFFAOYSA-N
XLogP2.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-propan-2-ylsulfonylphenyl)piperidine-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-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
CID 43453928
1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
CID 45156919
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
CID 49431230
1-[4-(methylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967234
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539
1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 174980645
1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
CID 83971736
(2S)-1-(4-propan-2-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119365064
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
(3R)-1-(2-propan-2-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 125145711

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid (CID 45156917) is 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid is CC(C)S(=O)(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid?
The InChIKey is LOUWCFNKNLVYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11(2)21(19,20)14-7-5-13(6-8-14)16-9-3-4-12(10-16)15(17)18/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid?
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 45156917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).