(4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone

C23H22N2O — CID 690945

IUPAC(4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22N2O/c26-23(21-13-11-20(12-14-21)19-7-3-1-4-8-19)25-17-15-24(16-18-25)22-9-5-2-6-10-22/h1-14H,15-18H2
InChIKeyVHYSKWYZIZGSJB-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.32
Rot. Bonds3

About (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone

(4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 690945) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID690945
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22N2O/c26-23(21-13-11-20(12-14-21)19-7-3-1-4-8-19)25-17-15-24(16-18-25)22-9-5-2-6-10-22/h1-14H,15-18H2
InChIKeyVHYSKWYZIZGSJB-UHFFFAOYSA-N
XLogP4.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 690945) is (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VHYSKWYZIZGSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23(21-13-11-20(12-14-21)19-7-3-1-4-8-19)25-17-15-24(16-18-25)22-9-5-2-6-10-22/h1-14H,15-18H2.
What are the key properties of (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 690945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).