1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid

C14H18N2O5S — CID 131963351

IUPAC1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1C(N)=O
InChIInChI=1S/C14H18N2O5S/c1-9-2-3-11(8-12(9)13(15)17)22(20,21)16-6-4-10(5-7-16)14(18)19/h2-3,8,10H,4-7H2,1H3,(H2,15,17)(H,18,19)
InChIKeyAWIBWYDFKDJBKT-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.58
Rot. Bonds4

About 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid

1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 131963351) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID131963351
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1C(N)=O
InChIInChI=1S/C14H18N2O5S/c1-9-2-3-11(8-12(9)13(15)17)22(20,21)16-6-4-10(5-7-16)14(18)19/h2-3,8,10H,4-7H2,1H3,(H2,15,17)(H,18,19)
InChIKeyAWIBWYDFKDJBKT-UHFFFAOYSA-N
XLogP0.58
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-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

2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 1216990
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 119987776
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
(2S)-1-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid
CID 41273099
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
(3R)-1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 129368746

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid (CID 131963351) is 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1C(N)=O.
What is the InChIKey of 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is AWIBWYDFKDJBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-9-2-3-11(8-12(9)13(15)17)22(20,21)16-6-4-10(5-7-16)14(18)19/h2-3,8,10H,4-7H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid?
1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 131963351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).