3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one

C19H30N4O — CID 120982352

IUPAC3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCN(CCc2ccccc2)CC1)N1CCNCC1
InChIInChI=1S/C19H30N4O/c24-19(23-12-8-20-9-13-23)7-11-22-16-14-21(15-17-22)10-6-18-4-2-1-3-5-18/h1-5,20H,6-17H2
InChIKeyAUBVGMZBMTVZHT-UHFFFAOYSA-N
MW330.48 g/mol
LogP0.67
Rot. Bonds6

About 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982352) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982352
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCN(CCc2ccccc2)CC1)N1CCNCC1
InChIInChI=1S/C19H30N4O/c24-19(23-12-8-20-9-13-23)7-11-22-16-14-21(15-17-22)10-6-18-4-2-1-3-5-18/h1-5,20H,6-17H2
InChIKeyAUBVGMZBMTVZHT-UHFFFAOYSA-N
XLogP0.67
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-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

3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
1-[4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120981256
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-(1,4-diazepan-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119418032
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982698
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981580
3-(2-aminophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 120612183
3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982286
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
CID 31952076
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120982352) is 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is O=C(CCN1CCN(CCc2ccccc2)CC1)N1CCNCC1.
What is the InChIKey of 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is AUBVGMZBMTVZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c24-19(23-12-8-20-9-13-23)7-11-22-16-14-21(15-17-22)10-6-18-4-2-1-3-5-18/h1-5,20H,6-17H2.
What are the key properties of 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 330.48 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).