1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one

C29H30FN3O2 — CID 57403781

IUPAC1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H30FN3O2/c30-26-13-11-23(12-14-26)21-31-17-19-32(20-18-31)27(34)22-33-16-15-29(28(33)35,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14H,15-22H2
InChIKeyFXSRBMDBPCPKKS-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.69
Rot. Bonds6

About 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one

1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one (PubChem CID 57403781) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
PubChem CID57403781
Molecular FormulaC29H30FN3O2
Molecular Weight471.58 g/mol
Exact Mass471.23
IUPAC Name1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C29H30FN3O2/c30-26-13-11-23(12-14-26)21-31-17-19-32(20-18-31)27(34)22-33-16-15-29(28(33)35,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14H,15-22H2
InChIKeyFXSRBMDBPCPKKS-UHFFFAOYSA-N
XLogP3.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,3aR,7aR)-2-benzyl-3-[4-fluoro-3-(4-methylphenyl)phenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one
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Piperazine, 1-(2-fluorobenzoyl)-4-diphenylacetyl-
CID 579768
1-[4-(3,5-Ditert-butylbenzoyl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one
CID 10054114
1-[4-[(4-Fluorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10367798
4-(4-Fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohexyl]-2,8-diaza-spiro[4.5]decan-1-one
CID 11189444
8-[1-(3-Fluoro-phenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11338717
Rac-4-(4-fluoro-phenyl)-8-[1-(3-fluoro-phenyl)-cyclohexyl]-2,8-diaza-spiro[4.5]decan-1-one
CID 11418847
(S)-4-phenyl-1-(3-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl)butan-1-one
CID 44358443
1-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
CID 45109879
1-{2-[4-(2,6-Dichlorobenzyl)piperazin-1-yl]-2-oxoethyl}-3,3-diphenylpyrrolidin-2-one
CID 45274308
1-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
CID 45275389
4-fluoro-N-[2-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 50902623

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one (CID 57403781) is 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one is O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The InChIKey is FXSRBMDBPCPKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c30-26-13-11-23(12-14-26)21-31-17-19-32(20-18-31)27(34)22-33-16-15-29(28(33)35,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14H,15-22H2.
What are the key properties of 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one has a molecular weight of 471.58 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one is sourced from PubChem (CID 57403781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).