1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide

C20H22FN3O3 — CID 24794314

IUPAC1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1cccnc1)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H22FN3O3/c21-18-6-2-1-4-15(18)13-24-14-16(7-8-19(24)25)20(26)23-10-11-27-17-5-3-9-22-12-17/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,23,26)
InChIKeyMISILDQOZVDOKR-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.15
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide (PubChem CID 24794314) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
PubChem CID24794314
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1cccnc1)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H22FN3O3/c21-18-6-2-1-4-15(18)13-24-14-16(7-8-19(24)25)20(26)23-10-11-27-17-5-3-9-22-12-17/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,23,26)
InChIKeyMISILDQOZVDOKR-UHFFFAOYSA-N
XLogP2.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-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-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide (CID 24794314) is 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide is O=C(NCCOc1cccnc1)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide?
The InChIKey is MISILDQOZVDOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-18-6-2-1-4-15(18)13-24-14-16(7-8-19(24)25)20(26)23-10-11-27-17-5-3-9-22-12-17/h1-6,9,12,16H,7-8,10-11,13-14H2,(H,23,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-oxo-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24794314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).