2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one

C24H28N2O2 — CID 75402758

IUPAC2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-23(2,19-9-5-3-6-10-19)21(27)25-15-17-26(18-16-25)22(28)24(13-14-24)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3
InChIKeyBJFIACWPWCXLLN-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.37
Rot. Bonds4

About 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one

2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one (PubChem CID 75402758) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
PubChem CID75402758
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-23(2,19-9-5-3-6-10-19)21(27)25-15-17-26(18-16-25)22(28)24(13-14-24)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3
InChIKeyBJFIACWPWCXLLN-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one (CID 75402758) is 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one is CC(C)(C(=O)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is BJFIACWPWCXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-23(2,19-9-5-3-6-10-19)21(27)25-15-17-26(18-16-25)22(28)24(13-14-24)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3.
What are the key properties of 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 376.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75402758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).