1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one

C26H28N2O — CID 44768972

IUPAC1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C26H28N2O/c1-27-17-18-28(20-25(27)23-15-9-4-10-16-23)26(29)24(22-13-7-3-8-14-22)19-21-11-5-2-6-12-21/h2-16,24-25H,17-20H2,1H3
InChIKeyVOJGKZZBNQKTQM-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.53
Rot. Bonds5

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

1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one (PubChem CID 44768972) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one
PubChem CID44768972
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C26H28N2O/c1-27-17-18-28(20-25(27)23-15-9-4-10-16-23)26(29)24(22-13-7-3-8-14-22)19-21-11-5-2-6-12-21/h2-16,24-25H,17-20H2,1H3
InChIKeyVOJGKZZBNQKTQM-UHFFFAOYSA-N
XLogP4.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one (CID 44768972) is 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one is CN1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The InChIKey is VOJGKZZBNQKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-27-17-18-28(20-25(27)23-15-9-4-10-16-23)26(29)24(22-13-7-3-8-14-22)19-21-11-5-2-6-12-21/h2-16,24-25H,17-20H2,1H3.
What are the key properties of 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one has a molecular weight of 384.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-phenylpiperazin-1-yl)-2,3-diphenylpropan-1-one is sourced from PubChem (CID 44768972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).