1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C20H21FN4O2 — CID 120731172

IUPAC1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCNCC2c2cccnc2)CN1c1ccccc1F
InChIInChI=1S/C20H21FN4O2/c21-16-5-1-2-6-17(16)25-13-15(10-19(25)26)20(27)24-9-8-23-12-18(24)14-4-3-7-22-11-14/h1-7,11,15,18,23H,8-10,12-13H2
InChIKeyZXGOLCWBJPUWDH-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 120731172) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID120731172
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCNCC2c2cccnc2)CN1c1ccccc1F
InChIInChI=1S/C20H21FN4O2/c21-16-5-1-2-6-17(16)25-13-15(10-19(25)26)20(27)24-9-8-23-12-18(24)14-4-3-7-22-11-14/h1-7,11,15,18,23H,8-10,12-13H2
InChIKeyZXGOLCWBJPUWDH-UHFFFAOYSA-N
XLogP1.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120732465
1-(4-methylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731706
1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731708
1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120732530
1-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120729616
1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731176
1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 42650970
3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731728
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
(4R)-1-(2-fluorophenyl)-4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95579142
(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731808

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 120731172) is 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCNCC2c2cccnc2)CN1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ZXGOLCWBJPUWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-5-1-2-6-17(16)25-13-15(10-19(25)26)20(27)24-9-8-23-12-18(24)14-4-3-7-22-11-14/h1-7,11,15,18,23H,8-10,12-13H2.
What are the key properties of 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 368.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 120731172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).