2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone

C18H21N3O — CID 59564588

IUPAC2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c19-14-18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9H,10-14,19H2
InChIKeyWQFJMIVJAFIZHG-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone

2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone (PubChem CID 59564588) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
PubChem CID59564588
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c19-14-18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9H,10-14,19H2
InChIKeyWQFJMIVJAFIZHG-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone 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

2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;isoquinoline-6-carboxylic acid;N-[2-oxo-2-[4-(2-phenylphenyl)piperazin-1-yl]ethyl]isoquinoline-6-carboxamide;hydrochloride
CID 160670426
2-imidazo[4,5-b]pyridin-3-yl-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564331
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
3-[4-(2-phenylphenyl)piperazin-1-yl]propan-1-amine
CID 140972357
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
4-(4-formyl-2-phenylphenyl)piperazine-1-carboxylic acid
CID 130303112
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
2-amino-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60936651
2-amino-1-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanone
CID 4741095
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone (CID 59564588) is 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone is NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone?
The InChIKey is WQFJMIVJAFIZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-14-18(22)21-12-10-20(11-13-21)17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9H,10-14,19H2.
What are the key properties of 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone has a molecular weight of 295.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 59564588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).