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

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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).