(4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H21N3O — CID 774146

IUPAC(4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21N3O/c26-22(20-11-9-19(10-12-20)18-6-2-1-3-7-18)25-16-14-24(15-17-25)21-8-4-5-13-23-21/h1-13H,14-17H2
InChIKeyQZHNYGXJQPMAEA-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.71
Rot. Bonds3

About (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 774146) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID774146
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21N3O/c26-22(20-11-9-19(10-12-20)18-6-2-1-3-7-18)25-16-14-24(15-17-25)21-8-4-5-13-23-21/h1-13H,14-17H2
InChIKeyQZHNYGXJQPMAEA-UHFFFAOYSA-N
XLogP3.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 774146) is (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QZHNYGXJQPMAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c26-22(20-11-9-19(10-12-20)18-6-2-1-3-7-18)25-16-14-24(15-17-25)21-8-4-5-13-23-21/h1-13H,14-17H2.
What are the key properties of (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 774146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).