4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid

C20H23NO5S — CID 22240811

IUPAC4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)(C(=O)O)CC2)cc1
InChIInChI=1S/C20H23NO5S/c1-26-17-7-9-18(10-8-17)27(24,25)21-13-11-20(12-14-21,19(22)23)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,23)
InChIKeySVVXHJBPCMAEOE-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.79
Rot. Bonds6

About 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid

4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 22240811) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID22240811
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)(C(=O)O)CC2)cc1
InChIInChI=1S/C20H23NO5S/c1-26-17-7-9-18(10-8-17)27(24,25)21-13-11-20(12-14-21,19(22)23)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,23)
InChIKeySVVXHJBPCMAEOE-UHFFFAOYSA-N
XLogP2.79
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-1-(4-methoxyphenyl)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

4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid
CID 22240558
8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109566
ethyl 1-(4-acetamidophenyl)sulfonyl-4-benzylpiperidine-4-carboxylate
CID 26401018
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 26203857
4-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)piperidine-4-carboxylic acid
CID 70323062
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid (CID 22240811) is 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid is COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)(C(=O)O)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is SVVXHJBPCMAEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-26-17-7-9-18(10-8-17)27(24,25)21-13-11-20(12-14-21,19(22)23)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,23).
What are the key properties of 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid?
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 389.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22240811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).