[4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C22H22N4O2 — CID 15950864

IUPAC[4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C22H22N4O2/c1-28-20-9-7-18(8-10-20)17-3-5-19(6-4-17)21(27)25-13-15-26(16-14-25)22-23-11-2-12-24-22/h2-12H,13-16H2,1H3
InChIKeyKOAYZRLFZAVUSH-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.11
Rot. Bonds4

About [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 15950864) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID15950864
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1
InChIInChI=1S/C22H22N4O2/c1-28-20-9-7-18(8-10-20)17-3-5-19(6-4-17)21(27)25-13-15-26(16-14-25)22-23-11-2-12-24-22/h2-12H,13-16H2,1H3
InChIKeyKOAYZRLFZAVUSH-UHFFFAOYSA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 15950864) is [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KOAYZRLFZAVUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-20-9-7-18(8-10-20)17-3-5-19(6-4-17)21(27)25-13-15-26(16-14-25)22-23-11-2-12-24-22/h2-12H,13-16H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 15950864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).