1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide

C18H18FN3O2 — CID 163358258

IUPAC1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c19-14-6-4-13(5-7-14)12-22-16(2-1-3-17(22)23)18(24)21-15-8-10-20-11-9-15/h4-11,16H,1-3,12H2,(H,20,21,24)
InChIKeyCUPQEHWZOXIOCF-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.74
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide (PubChem CID 163358258) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide
PubChem CID163358258
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c19-14-6-4-13(5-7-14)12-22-16(2-1-3-17(22)23)18(24)21-15-8-10-20-11-9-15/h4-11,16H,1-3,12H2,(H,20,21,24)
InChIKeyCUPQEHWZOXIOCF-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide 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 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide (CID 163358258) is 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide is O=C(Nc1ccncc1)C1CCCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide?
The InChIKey is CUPQEHWZOXIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-6-4-13(5-7-14)12-22-16(2-1-3-17(22)23)18(24)21-15-8-10-20-11-9-15/h4-11,16H,1-3,12H2,(H,20,21,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide?
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-4-ylpiperidine-2-carboxamide is sourced from PubChem (CID 163358258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).