3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione

C16H22N2O2 — CID 64959285

IUPAC3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccccc1N1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C16H22N2O2/c1-10(2)13-14(19)17-16(4,5)15(20)18(13)12-9-7-6-8-11(12)3/h6-10,13H,1-5H3,(H,17,19)
InChIKeyCZXZRFJOBLUKQE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds2

About 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione

3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64959285) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64959285
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccccc1N1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C16H22N2O2/c1-10(2)13-14(19)17-16(4,5)15(20)18(13)12-9-7-6-8-11(12)3/h6-10,13H,1-5H3,(H,17,19)
InChIKeyCZXZRFJOBLUKQE-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64959285) is 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione is Cc1ccccc1N1C(=O)C(C)(C)NC(=O)C1C(C)C.
What is the InChIKey of 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CZXZRFJOBLUKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)13-14(19)17-16(4,5)15(20)18(13)12-9-7-6-8-11(12)3/h6-10,13H,1-5H3,(H,17,19).
What are the key properties of 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione?
3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64959285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).