(E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one

C20H22N2O — CID 890395

IUPAC(E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESCN1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O/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/h2-11,16H,12-15H2,1H3/b19-16+
InChIKeyXFBYOLHFKOMHBG-KNTRCKAVSA-N
MW306.41 g/mol
LogP3.00
Rot. Bonds3

About (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one

(E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one (PubChem CID 890395) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one
PubChem CID890395
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESCN1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O/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/h2-11,16H,12-15H2,1H3/b19-16+
InChIKeyXFBYOLHFKOMHBG-KNTRCKAVSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one (CID 890395) is (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one is CN1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one?
The InChIKey is XFBYOLHFKOMHBG-KNTRCKAVSA-N. The full InChI is InChI=1S/C20H22N2O/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/h2-11,16H,12-15H2,1H3/b19-16+.
What are the key properties of (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one?
(E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one has a molecular weight of 306.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 890395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).