1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide

C23H22FN3O2 — CID 113008377

IUPAC1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C23H22FN3O2/c24-19-8-2-1-5-18(19)15-21(28)27-13-10-17(11-14-27)23(29)26-20-9-3-6-16-7-4-12-25-22(16)20/h1-9,12,17H,10-11,13-15H2,(H,26,29)
InChIKeyUXCGGUVEBAYYDB-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.79
Rot. Bonds4

About 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide

1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide (PubChem CID 113008377) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide
PubChem CID113008377
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C23H22FN3O2/c24-19-8-2-1-5-18(19)15-21(28)27-13-10-17(11-14-27)23(29)26-20-9-3-6-16-7-4-12-25-22(16)20/h1-9,12,17H,10-11,13-15H2,(H,26,29)
InChIKeyUXCGGUVEBAYYDB-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide 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

1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113006955
1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135997
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
CID 109020977
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide (CID 113008377) is 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide is O=C(Nc1cccc2cccnc12)C1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide?
The InChIKey is UXCGGUVEBAYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-19-8-2-1-5-18(19)15-21(28)27-13-10-17(11-14-27)23(29)26-20-9-3-6-16-7-4-12-25-22(16)20/h1-9,12,17H,10-11,13-15H2,(H,26,29).
What are the key properties of 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide?
1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide is sourced from PubChem (CID 113008377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).