4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one

C16H22N2O2 — CID 110644668

IUPAC4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2C(=O)NCCN2C(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-11-5-7-12(8-6-11)13-14(19)17-9-10-18(13)15(20)16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChIKeyUXAVSFYAAUATJD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one

4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one (PubChem CID 110644668) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one
PubChem CID110644668
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2C(=O)NCCN2C(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-11-5-7-12(8-6-11)13-14(19)17-9-10-18(13)15(20)16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChIKeyUXAVSFYAAUATJD-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one (CID 110644668) is 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one is Cc1ccc(C2C(=O)NCCN2C(=O)C(C)(C)C)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one?
The InChIKey is UXAVSFYAAUATJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-5-7-12(8-6-11)13-14(19)17-9-10-18(13)15(20)16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one?
4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110644668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).