(4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone

C23H22ClN3O — CID 44586289

IUPAC(4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3ccncc3)cc2)CC1
InChIInChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2
InChIKeyZVSOQMNOCJWZQN-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.36
Rot. Bonds4

About (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 44586289) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID44586289
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name(4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3ccncc3)cc2)CC1
InChIInChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2
InChIKeyZVSOQMNOCJWZQN-UHFFFAOYSA-N
XLogP4.36
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone (CID 44586289) is (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3ccncc3)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZVSOQMNOCJWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2.
What are the key properties of (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 391.90 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[(4-pyridin-4-ylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 44586289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).