4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one

C22H26N2O2 — CID 42847436

IUPAC4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)C(C)(C)C
InChIInChI=1S/C22H26N2O2/c1-16-20(25)24(15-14-23(16)21(26)22(2,3)4)19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13,16H,14-15H2,1-4H3
InChIKeyCYGHRVPQWMHFEO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.96
Rot. Bonds2

About 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one

4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 42847436) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
PubChem CID42847436
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)C(C)(C)C
InChIInChI=1S/C22H26N2O2/c1-16-20(25)24(15-14-23(16)21(26)22(2,3)4)19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13,16H,14-15H2,1-4H3
InChIKeyCYGHRVPQWMHFEO-UHFFFAOYSA-N
XLogP3.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one (CID 42847436) is 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one is CC1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)C(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is CYGHRVPQWMHFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-20(25)24(15-14-23(16)21(26)22(2,3)4)19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13,16H,14-15H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 42847436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).