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

C14H17NO4 — CID 79614725

IUPAC2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C14H17NO4/c16-12-3-1-11(2-4-12)14(19)15-7-5-10(6-8-15)9-13(17)18/h1-4,10,16H,5-9H2,(H,17,18)
InChIKeyOOEXDSZOFWLQLR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.72
Rot. Bonds3

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

2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid (PubChem CID 79614725) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
PubChem CID79614725
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C14H17NO4/c16-12-3-1-11(2-4-12)14(19)15-7-5-10(6-8-15)9-13(17)18/h1-4,10,16H,5-9H2,(H,17,18)
InChIKeyOOEXDSZOFWLQLR-UHFFFAOYSA-N
XLogP1.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
CID 64603735
2-[1-(4-cyanobenzoyl)piperidin-4-yl]acetic acid
CID 78980423
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
2-[1-[4-(phenylsulfanylmethyl)benzoyl]piperidin-4-yl]acetic acid
CID 119178245
2-[1-(4-prop-2-ynoxybenzoyl)piperidin-4-yl]acetic acid
CID 119178054
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577
2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 119178659
2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetic acid;hydrochloride
CID 22362370

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid (CID 79614725) is 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is OOEXDSZOFWLQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12-3-1-11(2-4-12)14(19)15-7-5-10(6-8-15)9-13(17)18/h1-4,10,16H,5-9H2,(H,17,18).
What are the key properties of 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid?
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79614725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).