1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C22H24FN3O2 — CID 110310472

IUPAC1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1c1ccccc1F
InChIInChI=1S/C22H24FN3O2/c1-24-12-13-25(15-20(24)18-8-2-3-9-19(18)23)22(28)16-6-4-7-17(14-16)26-11-5-10-21(26)27/h2-4,6-9,14,20H,5,10-13,15H2,1H3
InChIKeyHVHBGQYVSSVUKB-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.08
Rot. Bonds3

About 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 110310472) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID110310472
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1c1ccccc1F
InChIInChI=1S/C22H24FN3O2/c1-24-12-13-25(15-20(24)18-8-2-3-9-19(18)23)22(28)16-6-4-7-17(14-16)26-11-5-10-21(26)27/h2-4,6-9,14,20H,5,10-13,15H2,1H3
InChIKeyHVHBGQYVSSVUKB-UHFFFAOYSA-N
XLogP3.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110293076
1-[3-[(6R)-4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 97130043
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582
1-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119594404
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110308578
1-[3-(3-phenoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110427239
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 110293024
1-[3-[3-[(4-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 166613591
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55779188
2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125119172

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 110310472) is 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one is CN1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1c1ccccc1F.
What is the InChIKey of 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is HVHBGQYVSSVUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-24-12-13-25(15-20(24)18-8-2-3-9-19(18)23)22(28)16-6-4-7-17(14-16)26-11-5-10-21(26)27/h2-4,6-9,14,20H,5,10-13,15H2,1H3.
What are the key properties of 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 381.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 110310472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).