1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid

C17H25N3O4S — CID 57416035

IUPAC1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)N2CCCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C17H25N3O4S/c21-17(22)16-14-20(25(23,24)19-9-5-2-6-10-19)12-11-18(16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22)
InChIKeyJIGFPGDWKRDYQD-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.99
Rot. Bonds5

About 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid

1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid (PubChem CID 57416035) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid
PubChem CID57416035
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)N2CCCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C17H25N3O4S/c21-17(22)16-14-20(25(23,24)19-9-5-2-6-10-19)12-11-18(16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22)
InChIKeyJIGFPGDWKRDYQD-UHFFFAOYSA-N
XLogP0.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-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-benzylpiperazine-1,3-dicarboxylic acid
CID 142773332
(2S)-1-benzyl-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 51440417
(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
CID 28732849
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 18137664
3-[[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]methyl]benzoic acid
CID 97131866
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43097620
(3aR,6aS)-5-phenylmethoxy-2-pyrrolidin-1-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 155902802
2-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]benzoic acid
CID 74238345

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid?
The IUPAC name of 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid (CID 57416035) is 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid is O=C(O)C1CN(S(=O)(=O)N2CCCCC2)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid?
The InChIKey is JIGFPGDWKRDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-17(22)16-14-20(25(23,24)19-9-5-2-6-10-19)12-11-18(16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,22).
What are the key properties of 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid?
1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid has a molecular weight of 367.47 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-piperidin-1-ylsulfonylpiperazine-2-carboxylic acid is sourced from PubChem (CID 57416035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).