2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C22H22N4O — CID 3636025

IUPAC2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22N4O/c27-21(25-14-16-26(17-15-25)22-23-12-7-13-24-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20H,14-17H2
InChIKeyWDIXXOMXGWLXTG-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.96
Rot. Bonds4

About 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 3636025) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID3636025
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22N4O/c27-21(25-14-16-26(17-15-25)22-23-12-7-13-24-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20H,14-17H2
InChIKeyWDIXXOMXGWLXTG-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 119827962
1-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 5065522
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119827961
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 17110283
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081241
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4677117
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 3636025) is 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is WDIXXOMXGWLXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-21(25-14-16-26(17-15-25)22-23-12-7-13-24-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20H,14-17H2.
What are the key properties of 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 358.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3636025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).