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

C15H19NO5 — CID 62218166

IUPAC3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H19NO5/c17-11-2-3-12(13(18)9-11)15(21)16-7-5-10(6-8-16)1-4-14(19)20/h2-3,9-10,17-18H,1,4-8H2,(H,19,20)
InChIKeyDHNWVGRNMWIRIB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.81
Rot. Bonds4

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

3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid (PubChem CID 62218166) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
PubChem CID62218166
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H19NO5/c17-11-2-3-12(13(18)9-11)15(21)16-7-5-10(6-8-16)1-4-14(19)20/h2-3,9-10,17-18H,1,4-8H2,(H,19,20)
InChIKeyDHNWVGRNMWIRIB-UHFFFAOYSA-N
XLogP1.81
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
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
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 115923902
3-[1-[1-(2,5-dihydroxyphenyl)ethyl]piperidin-4-yl]propanoic acid
CID 65062883
3-[1-(5-chloro-2-methylbenzoyl)piperidin-4-yl]propanoic acid
CID 82877917
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246
(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422462

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid (CID 62218166) is 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid?
The InChIKey is DHNWVGRNMWIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-11-2-3-12(13(18)9-11)15(21)16-7-5-10(6-8-16)1-4-14(19)20/h2-3,9-10,17-18H,1,4-8H2,(H,19,20).
What are the key properties of 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid?
3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62218166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).