3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid

C15H20N2O5S — CID 90649672

IUPAC3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCCC(CCC(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)13-6-4-12(5-7-13)15(20)17-9-1-2-11(10-17)3-8-14(18)19/h4-7,11H,1-3,8-10H2,(H,18,19)(H2,16,21,22)
InChIKeyDYJATQHSERLCRY-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.05
Rot. Bonds5

About 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid

3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid (PubChem CID 90649672) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
PubChem CID90649672
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCCC(CCC(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)13-6-4-12(5-7-13)15(20)17-9-1-2-11(10-17)3-8-14(18)19/h4-7,11H,1-3,8-10H2,(H,18,19)(H2,16,21,22)
InChIKeyDYJATQHSERLCRY-UHFFFAOYSA-N
XLogP1.05
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 124681890
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CID 103219048
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
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3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
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3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124697707
[3-(2-bromoethyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 80669234
3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid
CID 114326388
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536442
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid (CID 90649672) is 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid is NS(=O)(=O)c1ccc(C(=O)N2CCCC(CCC(=O)O)C2)cc1.
What is the InChIKey of 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid?
The InChIKey is DYJATQHSERLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c16-23(21,22)13-6-4-12(5-7-13)15(20)17-9-1-2-11(10-17)3-8-14(18)19/h4-7,11H,1-3,8-10H2,(H,18,19)(H2,16,21,22).
What are the key properties of 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid?
3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid has a molecular weight of 340.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 90649672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).