3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid

C19H20N2O3 — CID 110112168

IUPAC3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid
SMILESCC(=O)N1CCC(c2cccc(-c3cccc(C(=O)O)c3)n2)CC1
InChIInChI=1S/C19H20N2O3/c1-13(22)21-10-8-14(9-11-21)17-6-3-7-18(20-17)15-4-2-5-16(12-15)19(23)24/h2-7,12,14H,8-11H2,1H3,(H,23,24)
InChIKeyONMUHNDRBZOZJH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.17
Rot. Bonds3

About 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid

3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid (PubChem CID 110112168) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid
PubChem CID110112168
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid
SMILESCC(=O)N1CCC(c2cccc(-c3cccc(C(=O)O)c3)n2)CC1
InChIInChI=1S/C19H20N2O3/c1-13(22)21-10-8-14(9-11-21)17-6-3-7-18(20-17)15-4-2-5-16(12-15)19(23)24/h2-7,12,14H,8-11H2,1H3,(H,23,24)
InChIKeyONMUHNDRBZOZJH-UHFFFAOYSA-N
XLogP3.17
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid?
The IUPAC name of 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid (CID 110112168) is 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid is CC(=O)N1CCC(c2cccc(-c3cccc(C(=O)O)c3)n2)CC1.
What is the InChIKey of 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid?
The InChIKey is ONMUHNDRBZOZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)21-10-8-14(9-11-21)17-6-3-7-18(20-17)15-4-2-5-16(12-15)19(23)24/h2-7,12,14H,8-11H2,1H3,(H,23,24).
What are the key properties of 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid?
3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid has a molecular weight of 324.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-acetylpiperidin-4-yl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 110112168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).