3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

C22H25FN4O2 — CID 91925975

IUPAC3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C22H25FN4O2/c23-19-5-3-17(4-6-19)14-21(28)26-12-10-25(11-13-26)20-7-9-27(22(20)29)16-18-2-1-8-24-15-18/h1-6,8,15,20H,7,9-14,16H2
InChIKeyIGYMEQJJXKFBJJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.71
Rot. Bonds5

About 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 91925975) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
PubChem CID91925975
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C22H25FN4O2/c23-19-5-3-17(4-6-19)14-21(28)26-12-10-25(11-13-26)20-7-9-27(22(20)29)16-18-2-1-8-24-15-18/h1-6,8,15,20H,7,9-14,16H2
InChIKeyIGYMEQJJXKFBJJ-UHFFFAOYSA-N
XLogP1.71
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (CID 91925975) is 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is O=C(Cc1ccc(F)cc1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1.
What is the InChIKey of 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is IGYMEQJJXKFBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-19-5-3-17(4-6-19)14-21(28)26-12-10-25(11-13-26)20-7-9-27(22(20)29)16-18-2-1-8-24-15-18/h1-6,8,15,20H,7,9-14,16H2.
What are the key properties of 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 396.47 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).