1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one

C22H28N2O2 — CID 71453413

IUPAC1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one
SMILESCOCCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-26-17-16-23-12-14-24(15-13-23)22(25)21(20-10-6-3-7-11-20)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3
InChIKeyZCODGLQHFMLQPJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.80
Rot. Bonds7

About 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one

1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one (PubChem CID 71453413) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one
PubChem CID71453413
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one
SMILESCOCCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-26-17-16-23-12-14-24(15-13-23)22(25)21(20-10-6-3-7-11-20)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3
InChIKeyZCODGLQHFMLQPJ-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one (CID 71453413) is 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one is COCCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one?
The InChIKey is ZCODGLQHFMLQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-17-16-23-12-14-24(15-13-23)22(25)21(20-10-6-3-7-11-20)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3.
What are the key properties of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one?
1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one has a molecular weight of 352.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one is sourced from PubChem (CID 71453413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).