[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone

C23H23N3O — CID 17234149

IUPAC[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H23N3O/c24-19-10-12-20(13-11-19)25-14-16-26(17-15-25)23(27)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13H,14-17,24H2
InChIKeyVLLUZZCGCKTPOQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.90
Rot. Bonds3

About [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone

[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 17234149) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
PubChem CID17234149
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H23N3O/c24-19-10-12-20(13-11-19)25-14-16-26(17-15-25)23(27)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13H,14-17,24H2
InChIKeyVLLUZZCGCKTPOQ-UHFFFAOYSA-N
XLogP3.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
[4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 168527219
2-chloro-N'-[4-[4-(2-phenylbenzoyl)piperazin-1-yl]phenyl]ethanimidamide
CID 169368068
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 58736410
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
[4-(4-aminophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]methanone
CID 59822756
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 91767375
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone (CID 17234149) is [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone is Nc1ccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is VLLUZZCGCKTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c24-19-10-12-20(13-11-19)25-14-16-26(17-15-25)23(27)22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13H,14-17,24H2.
What are the key properties of [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone?
[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 357.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 17234149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).