1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone

C27H28N2O3 — CID 99185253

IUPAC1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H28N2O3/c1-32-24-14-12-21(13-15-24)20-25(30)28-16-18-29(19-17-28)27(31)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3
InChIKeyUTTWPIQZLVGHNZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone

1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 99185253) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
PubChem CID99185253
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H28N2O3/c1-32-24-14-12-21(13-15-24)20-25(30)28-16-18-29(19-17-28)27(31)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3
InChIKeyUTTWPIQZLVGHNZ-UHFFFAOYSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108534002
2-cyclopropyl-1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110611377
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
CID 60591801
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-[1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108544576
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
2-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 110398838
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone (CID 99185253) is 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone is COc1ccc(CC(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is UTTWPIQZLVGHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-24-14-12-21(13-15-24)20-25(30)28-16-18-29(19-17-28)27(31)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3.
What are the key properties of 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone?
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 428.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 99185253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).