5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

C16H20FN3O2 — CID 110687296

IUPAC5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O2/c1-18-14(6-7-15(18)21)16(22)20-10-8-19(9-11-20)13-5-3-2-4-12(13)17/h2-5,14H,6-11H2,1H3
InChIKeyQLNUMWPVHASQDU-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.10
Rot. Bonds2

About 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 110687296) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID110687296
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O2/c1-18-14(6-7-15(18)21)16(22)20-10-8-19(9-11-20)13-5-3-2-4-12(13)17/h2-5,14H,6-11H2,1H3
InChIKeyQLNUMWPVHASQDU-UHFFFAOYSA-N
XLogP1.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-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

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95740284
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274
4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 136580851
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
(6S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 129416249
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
[1-(benzenesulfonyl)pyrrolidin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42702670
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 110687296) is 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1C(=O)CCC1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is QLNUMWPVHASQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-18-14(6-7-15(18)21)16(22)20-10-8-19(9-11-20)13-5-3-2-4-12(13)17/h2-5,14H,6-11H2,1H3.
What are the key properties of 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 305.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 110687296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).