3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid

C15H19NO4 — CID 62216443

IUPAC3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C15H19NO4/c17-13-4-2-1-3-12(13)15(20)16-9-7-11(8-10-16)5-6-14(18)19/h1-4,11,17H,5-10H2,(H,18,19)
InChIKeyZWIIQGDWLSSMNS-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.11
Rot. Bonds4

About 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid

3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid (PubChem CID 62216443) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
PubChem CID62216443
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C15H19NO4/c17-13-4-2-1-3-12(13)15(20)16-9-7-11(8-10-16)5-6-14(18)19/h1-4,11,17H,5-10H2,(H,18,19)
InChIKeyZWIIQGDWLSSMNS-UHFFFAOYSA-N
XLogP2.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62218166
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635
3-[1-(3-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 81265149
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 62218001
3-[1-(2-bromo-4-chlorobenzoyl)piperidin-4-yl]propanoic acid
CID 107986609
3-[1-(5-chloro-2-methylbenzoyl)piperidin-4-yl]propanoic acid
CID 82877917
3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 115923902
3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62217825

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid (CID 62216443) is 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid?
The InChIKey is ZWIIQGDWLSSMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13-4-2-1-3-12(13)15(20)16-9-7-11(8-10-16)5-6-14(18)19/h1-4,11,17H,5-10H2,(H,18,19).
What are the key properties of 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid?
3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).