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

C20H24N2O — CID 71451571

IUPAC(2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCN1CCN(C(=O)[C@H](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/t19-/m1/s1
InChIKeyAMEZAJPSLZEMQP-LJQANCHMSA-N
MW308.43 g/mol
LogP2.79
Rot. Bonds4

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

(2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one (PubChem CID 71451571) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
PubChem CID71451571
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCN1CCN(C(=O)[C@H](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/t19-/m1/s1
InChIKeyAMEZAJPSLZEMQP-LJQANCHMSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The IUPAC name of (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one (CID 71451571) is (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one.
What is the SMILES notation for (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The canonical SMILES for (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one is CN1CCN(C(=O)[C@H](Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The InChIKey is AMEZAJPSLZEMQP-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
(2R)-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 (2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one is sourced from PubChem (CID 71451571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).