1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one

C24H30N2O2 — CID 5160281

IUPAC1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccccc2)C(C)CN1C(=O)CCc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-19-17-26(24(28)16-14-22-11-7-4-8-12-22)20(2)18-25(19)23(27)15-13-21-9-5-3-6-10-21/h3-12,19-20H,13-18H2,1-2H3
InChIKeyJIGJWERJRLQHBQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.70
Rot. Bonds6

About 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 5160281) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID5160281
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccccc2)C(C)CN1C(=O)CCc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-19-17-26(24(28)16-14-22-11-7-4-8-12-22)20(2)18-25(19)23(27)15-13-21-9-5-3-6-10-21/h3-12,19-20H,13-18H2,1-2H3
InChIKeyJIGJWERJRLQHBQ-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 5160281) is 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one is CC1CN(C(=O)CCc2ccccc2)C(C)CN1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is JIGJWERJRLQHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-19-17-26(24(28)16-14-22-11-7-4-8-12-22)20(2)18-25(19)23(27)15-13-21-9-5-3-6-10-21/h3-12,19-20H,13-18H2,1-2H3.
What are the key properties of 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 378.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 5160281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).