1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid

C22H20N2O3 — CID 133108166

IUPAC1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C22H20N2O3/c25-21(24-12-6-9-16(14-24)22(26)27)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,26,27)
InChIKeyUZBOGHJVGMDGLN-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.84
Rot. Bonds3

About 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid

1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 133108166) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID133108166
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C22H20N2O3/c25-21(24-12-6-9-16(14-24)22(26)27)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,26,27)
InChIKeyUZBOGHJVGMDGLN-UHFFFAOYSA-N
XLogP3.84
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic 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

ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
[2-(3-bromophenyl)quinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 40543105
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid (CID 133108166) is 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is UZBOGHJVGMDGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(24-12-6-9-16(14-24)22(26)27)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,26,27).
What are the key properties of 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid?
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 133108166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).