phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone

C25H27N3O — CID 167174450

IUPACphenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(NCCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(22-9-5-2-6-10-22)28-19-17-27(18-20-28)24-13-11-23(12-14-24)26-16-15-21-7-3-1-4-8-21/h1-14,26H,15-20H2
InChIKeyQMFIWXGJDHWRIB-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.30
Rot. Bonds6

About phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone

phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone (PubChem CID 167174450) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
PubChem CID167174450
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Namephenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(NCCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O/c29-25(22-9-5-2-6-10-22)28-19-17-27(18-20-28)24-13-11-23(12-14-24)26-16-15-21-7-3-1-4-8-21/h1-14,26H,15-20H2
InChIKeyQMFIWXGJDHWRIB-UHFFFAOYSA-N
XLogP4.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone 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

N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]-phenylmethanone
CID 2906218
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 5224012
[4-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]piperazin-1-yl]-phenylmethanone
CID 19644598
N-(2-phenylethyl)-4-(4-propylpiperazin-1-yl)aniline
CID 112721256
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867
[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 91187389
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
3-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051570
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone (CID 167174450) is phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(c2ccc(NCCc3ccccc3)cc2)CC1.
What is the InChIKey of phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone?
The InChIKey is QMFIWXGJDHWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(22-9-5-2-6-10-22)28-19-17-27(18-20-28)24-13-11-23(12-14-24)26-16-15-21-7-3-1-4-8-21/h1-14,26H,15-20H2.
What are the key properties of phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone?
phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 167174450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).