1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C19H20FN5O2 — CID 110373917

IUPAC1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20FN5O2/c20-14-2-4-15(5-3-14)25-16(6-7-17(25)26)18(27)23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-5,8-9,16H,6-7,10-13H2
InChIKeyOIZFTMXWPZEDGH-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.46
Rot. Bonds3

About 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 110373917) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID110373917
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1c1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20FN5O2/c20-14-2-4-15(5-3-14)25-16(6-7-17(25)26)18(27)23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-5,8-9,16H,6-7,10-13H2
InChIKeyOIZFTMXWPZEDGH-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110374158
5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 110373871
1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373788
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
1-(1,3-benzodioxol-5-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 91955522
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174457
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139282
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 56724435

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 110373917) is 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C(C1CCC(=O)N1c1ccc(F)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OIZFTMXWPZEDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-14-2-4-15(5-3-14)25-16(6-7-17(25)26)18(27)23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-5,8-9,16H,6-7,10-13H2.
What are the key properties of 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 369.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110373917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).