4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one

C24H29F2N3O2 — CID 71228334

IUPAC4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(F)cc2F)CCN1c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H29F2N3O2/c25-20-5-4-19(23(26)16-20)17-28-13-14-29(24(30)18-28)21-6-8-22(9-7-21)31-15-3-12-27-10-1-2-11-27/h4-9,16H,1-3,10-15,17-18H2
InChIKeyLJIZWEQAVCWTAB-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.68
Rot. Bonds8

About 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one

4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one (PubChem CID 71228334) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
PubChem CID71228334
Molecular FormulaC24H29F2N3O2
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(F)cc2F)CCN1c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H29F2N3O2/c25-20-5-4-19(23(26)16-20)17-28-13-14-29(24(30)18-28)21-6-8-22(9-7-21)31-15-3-12-27-10-1-2-11-27/h4-9,16H,1-3,10-15,17-18H2
InChIKeyLJIZWEQAVCWTAB-UHFFFAOYSA-N
XLogP3.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazin-2-one
CID 59840170
4-(2,4-difluorophenyl)-9-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 15980161
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
CID 15987370
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
(2,5-difluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]methanone
CID 59250125
4-(2,5-difluorobenzoyl)-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]piperazin-2-one
CID 71051764
1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 59840184
7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11596368
4-[3-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]propoxy]benzamide
CID 70763038
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(quinoline-6-carbonyl)piperazin-2-one
CID 15987279
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one (CID 71228334) is 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one is O=C1CN(Cc2ccc(F)cc2F)CCN1c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one?
The InChIKey is LJIZWEQAVCWTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c25-20-5-4-19(23(26)16-20)17-28-13-14-29(24(30)18-28)21-6-8-22(9-7-21)31-15-3-12-27-10-1-2-11-27/h4-9,16H,1-3,10-15,17-18H2.
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one?
4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one has a molecular weight of 429.51 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one is sourced from PubChem (CID 71228334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).