1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide

C20H22FN3O3 — CID 38533214

IUPAC1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O3/c1-27-19-16(3-2-10-22-19)13-23-18(25)14-8-11-24(12-9-14)20(26)15-4-6-17(21)7-5-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,23,25)
InChIKeyAGZKZWIVSDEJQW-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.40
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 38533214) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID38533214
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O3/c1-27-19-16(3-2-10-22-19)13-23-18(25)14-8-11-24(12-9-14)20(26)15-4-6-17(21)7-5-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,23,25)
InChIKeyAGZKZWIVSDEJQW-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 38533214) is 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide is COc1ncccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is AGZKZWIVSDEJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-27-19-16(3-2-10-22-19)13-23-18(25)14-8-11-24(12-9-14)20(26)15-4-6-17(21)7-5-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,23,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38533214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).