4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid

C15H21NO4S — CID 62206118

IUPAC4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid
SMILESCCCC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H21NO4S/c1-2-3-12-8-10-16(11-9-12)21(19,20)14-6-4-13(5-7-14)15(17)18/h4-7,12H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyZIPCGIVICRLGSS-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.59
Rot. Bonds5

About 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid

4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid (PubChem CID 62206118) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid.

Molecular Properties

Compound Name4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid
PubChem CID62206118
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid
SMILESCCCC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H21NO4S/c1-2-3-12-8-10-16(11-9-12)21(19,20)14-6-4-13(5-7-14)15(17)18/h4-7,12H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyZIPCGIVICRLGSS-UHFFFAOYSA-N
XLogP2.59
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
4-(3,4-dihydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 106668323
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide
CID 60958439
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
5-(4-propylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 55050229
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 63611082
4-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62206687
4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531389

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid?
The IUPAC name of 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid (CID 62206118) is 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid.
What is the SMILES notation for 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid?
The canonical SMILES for 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid is CCCC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid?
The InChIKey is ZIPCGIVICRLGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-2-3-12-8-10-16(11-9-12)21(19,20)14-6-4-13(5-7-14)15(17)18/h4-7,12H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid?
4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpiperidin-1-yl)sulfonylbenzoic acid is sourced from PubChem (CID 62206118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).