1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one

C22H28N2O — CID 71449760

IUPAC1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C22H28N2O/c1-3-23-14-15-24(17-18(23)2)22(25)21(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3
InChIKeyILZHSLITVGQLJG-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one

1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one (PubChem CID 71449760) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
PubChem CID71449760
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1C
InChIInChI=1S/C22H28N2O/c1-3-23-14-15-24(17-18(23)2)22(25)21(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3
InChIKeyILZHSLITVGQLJG-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one (CID 71449760) is 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one is CCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1C.
What is the InChIKey of 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The InChIKey is ILZHSLITVGQLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-23-14-15-24(17-18(23)2)22(25)21(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3.
What are the key properties of 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one has a molecular weight of 336.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one is sourced from PubChem (CID 71449760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).