3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid

C15H20N2O5S — CID 119177170

IUPAC3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O5S/c18-14(19)8-9-16-15(20)12-6-2-3-7-13(12)23(21,22)17-10-4-1-5-11-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,20)(H,18,19)
InChIKeyGQBAVXUGNYWGAK-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.07
Rot. Bonds6

About 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid

3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid (PubChem CID 119177170) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
PubChem CID119177170
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O5S/c18-14(19)8-9-16-15(20)12-6-2-3-7-13(12)23(21,22)17-10-4-1-5-11-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,20)(H,18,19)
InChIKeyGQBAVXUGNYWGAK-UHFFFAOYSA-N
XLogP1.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33250445
N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33176179
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
2-(azetidin-1-ylsulfonyl)benzoic acid
CID 43440231
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 55574957
3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
CID 75417895

Frequently Asked Questions

What is the IUPAC name of 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid (CID 119177170) is 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid is O=C(O)CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The InChIKey is GQBAVXUGNYWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c18-14(19)8-9-16-15(20)12-6-2-3-7-13(12)23(21,22)17-10-4-1-5-11-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,20)(H,18,19).
What are the key properties of 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid has a molecular weight of 340.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 119177170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).