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

C20H24N2O — CID 71449759

IUPAC1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyAMEZAJPSLZEMQP-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.79
Rot. Bonds4

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

1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one (PubChem CID 71449759) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
PubChem CID71449759
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyAMEZAJPSLZEMQP-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
1-(4-methyl-1,4-diazepan-1-yl)-2-phenylbutan-1-one
CID 6467944
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 3151806
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one
CID 137342713
1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110407270
(2S)-2,3-diphenylpropanoic acid
CID 737125
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 122343368
4-(4-methylpiperazin-1-yl)-2-phenylbutanamide
CID 54530571
4-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]benzenesulfonic acid
CID 142671079

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one (CID 71449759) is 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one is CN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The InChIKey is AMEZAJPSLZEMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one has a molecular weight of 308.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one is sourced from PubChem (CID 71449759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).