4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one

C20H22N2O2 — CID 110708065

IUPAC4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C20H22N2O2/c1-21-12-13-22(15-20(21)24)19(23)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyCROYCZOGLWTYFR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.51
Rot. Bonds4

About 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one

4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one (PubChem CID 110708065) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
PubChem CID110708065
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C20H22N2O2/c1-21-12-13-22(15-20(21)24)19(23)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyCROYCZOGLWTYFR-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 20795205
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one
CID 103156005
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29021819
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
1-(4-methyl-3-oxopiperazin-1-yl)butane-1,3-dione
CID 64680135
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one (CID 110708065) is 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one?
The InChIKey is CROYCZOGLWTYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21-12-13-22(15-20(21)24)19(23)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3.
What are the key properties of 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one?
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 110708065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).