1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

C20H22FN3O2 — CID 87041460

IUPAC1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H22FN3O2/c1-14-4-2-6-18(23-14)12-22-19(25)16-5-3-11-24(13-16)20(26)15-7-9-17(21)10-8-15/h2,4,6-10,16H,3,5,11-13H2,1H3,(H,22,25)
InChIKeyGMNCLMJMPBKARD-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 87041460) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID87041460
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H22FN3O2/c1-14-4-2-6-18(23-14)12-22-19(25)16-5-3-11-24(13-16)20(26)15-7-9-17(21)10-8-15/h2,4,6-10,16H,3,5,11-13H2,1H3,(H,22,25)
InChIKeyGMNCLMJMPBKARD-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]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

Related Compounds

2-[[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244732
1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 136545141
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 95539357
1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide
CID 55567061
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (CID 87041460) is 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is GMNCLMJMPBKARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-4-2-6-18(23-14)12-22-19(25)16-5-3-11-24(13-16)20(26)15-7-9-17(21)10-8-15/h2,4,6-10,16H,3,5,11-13H2,1H3,(H,22,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 87041460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).