1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one

C15H20FN3O — CID 53358224

IUPAC1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
SMILESCN1CCN(c2cc(N3CCCC3=O)ccc2F)CC1
InChIInChI=1S/C15H20FN3O/c1-17-7-9-18(10-8-17)14-11-12(4-5-13(14)16)19-6-2-3-15(19)20/h4-5,11H,2-3,6-10H2,1H3
InChIKeyOZAMQASSQVRZIW-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.70
Rot. Bonds2

About 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one

1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 53358224) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
PubChem CID53358224
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
SMILESCN1CCN(c2cc(N3CCCC3=O)ccc2F)CC1
InChIInChI=1S/C15H20FN3O/c1-17-7-9-18(10-8-17)14-11-12(4-5-13(14)16)19-6-2-3-15(19)20/h4-5,11H,2-3,6-10H2,1H3
InChIKeyOZAMQASSQVRZIW-UHFFFAOYSA-N
XLogP1.70
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(5-amino-2-fluorophenyl)pyrrolidin-2-one
CID 16771885
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
1-[1-(3,4-dichlorophenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyrrolidin-2-one
CID 68557873
2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042
1-(4-chlorophenyl)-3-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperidin-2-one
CID 54102788
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
CID 79686870
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
1-[3-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
CID 124590598
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one (CID 53358224) is 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one is CN1CCN(c2cc(N3CCCC3=O)ccc2F)CC1.
What is the InChIKey of 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is OZAMQASSQVRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-17-7-9-18(10-8-17)14-11-12(4-5-13(14)16)19-6-2-3-15(19)20/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one?
1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 277.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 53358224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).