1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid

C18H24N2O6S — CID 97209556

IUPAC1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)c1cccc([C@H]2CCCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C2)c1
InChIInChI=1S/C18H24N2O6S/c21-17(22)13-6-9-19(10-7-13)27(25,26)20-8-2-5-16(12-20)14-3-1-4-15(11-14)18(23)24/h1,3-4,11,13,16H,2,5-10,12H2,(H,21,22)(H,23,24)/t16-/m0/s1
InChIKeyIIQJEHHIGFDWOQ-INIZCTEOSA-N
MW396.47 g/mol
LogP1.61
Rot. Bonds5

About 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid

1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid (PubChem CID 97209556) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
PubChem CID97209556
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)c1cccc([C@H]2CCCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C2)c1
InChIInChI=1S/C18H24N2O6S/c21-17(22)13-6-9-19(10-7-13)27(25,26)20-8-2-5-16(12-20)14-3-1-4-15(11-14)18(23)24/h1,3-4,11,13,16H,2,5-10,12H2,(H,21,22)(H,23,24)/t16-/m0/s1
InChIKeyIIQJEHHIGFDWOQ-INIZCTEOSA-N
XLogP1.61
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]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

3-[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 72918439
3-[(3R)-1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97187404
3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003
3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid
CID 97191593
3-[(3R)-1-[ethyl(methyl)sulfamoyl]piperidin-3-yl]benzoic acid
CID 97195906
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
3-(1-methylsulfonylazetidin-3-yl)benzoic acid
CID 170992355
3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202781
3-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202782
3-[[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]methyl]benzoic acid
CID 97131866
3-[1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 72875109

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid (CID 97209556) is 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid is O=C(O)c1cccc([C@H]2CCCN(S(=O)(=O)N3CCC(C(=O)O)CC3)C2)c1.
What is the InChIKey of 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
The InChIKey is IIQJEHHIGFDWOQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O6S/c21-17(22)13-6-9-19(10-7-13)27(25,26)20-8-2-5-16(12-20)14-3-1-4-15(11-14)18(23)24/h1,3-4,11,13,16H,2,5-10,12H2,(H,21,22)(H,23,24)/t16-/m0/s1.
What are the key properties of 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid?
1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid has a molecular weight of 396.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 97209556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).