3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

C18H29FN4O — CID 109017069

IUPAC3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCN(C)CCCNCCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H29FN4O/c1-21(2)11-5-9-20-10-8-18(24)23-14-12-22(13-15-23)17-7-4-3-6-16(17)19/h3-4,6-7,20H,5,8-15H2,1-2H3
InChIKeySUDJEIBIDAHEDQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.41
Rot. Bonds8

About 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 109017069) has the molecular formula C18H29FN4O and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID109017069
Molecular FormulaC18H29FN4O
Molecular Weight336.46 g/mol
Exact Mass336.23
IUPAC Name3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCN(C)CCCNCCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H29FN4O/c1-21(2)11-5-9-20-10-8-18(24)23-14-12-22(13-15-23)17-7-4-3-6-16(17)19/h3-4,6-7,20H,5,8-15H2,1-2H3
InChIKeySUDJEIBIDAHEDQ-UHFFFAOYSA-N
XLogP1.41
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-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-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one
CID 109015201
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(prop-2-enylamino)propan-1-one
CID 109012047
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012792
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)methylamino]propan-1-one
CID 109019284
3-[(4-fluorophenyl)methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109021197
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-3-oxopropane-1-sulfonamide
CID 110343327
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylamino)propan-1-one
CID 109015536
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
3-(2,3-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029829
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (CID 109017069) is 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is CN(C)CCCNCCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is SUDJEIBIDAHEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O/c1-21(2)11-5-9-20-10-8-18(24)23-14-12-22(13-15-23)17-7-4-3-6-16(17)19/h3-4,6-7,20H,5,8-15H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 336.46 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109017069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).