4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one

C17H16FN3O2 — CID 110090645

IUPAC4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cncc(Cc3ccccc3F)c2)CCN1
InChIInChI=1S/C17H16FN3O2/c18-15-4-2-1-3-13(15)7-12-8-14(10-19-9-12)17(23)21-6-5-20-16(22)11-21/h1-4,8-10H,5-7,11H2,(H,20,22)
InChIKeyJPDNYKSGPZBACT-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.38
Rot. Bonds3

About 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one

4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one (PubChem CID 110090645) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one
PubChem CID110090645
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cncc(Cc3ccccc3F)c2)CCN1
InChIInChI=1S/C17H16FN3O2/c18-15-4-2-1-3-13(15)7-12-8-14(10-19-9-12)17(23)21-6-5-20-16(22)11-21/h1-4,8-10H,5-7,11H2,(H,20,22)
InChIKeyJPDNYKSGPZBACT-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one 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-fluorophenyl)methyl]-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111266190
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 111362265
4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
CID 103706381
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
1-[4-[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231026
[5-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228397
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
4-(4-fluoro-3-nitrobenzoyl)piperazin-2-one
CID 43215729
[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
CID 4742783
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one (CID 110090645) is 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2cncc(Cc3ccccc3F)c2)CCN1.
What is the InChIKey of 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is JPDNYKSGPZBACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-15-4-2-1-3-13(15)7-12-8-14(10-19-9-12)17(23)21-6-5-20-16(22)11-21/h1-4,8-10H,5-7,11H2,(H,20,22).
What are the key properties of 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one?
4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 313.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 110090645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).