1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione

C16H22N2O2 — CID 64873607

IUPAC1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)13-14(19)18(16(3,4)15(20)17-13)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)
InChIKeyAVOZCCLENYVKLT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.95
Rot. Bonds3

About 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione

1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64873607) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64873607
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)13-14(19)18(16(3,4)15(20)17-13)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)
InChIKeyAVOZCCLENYVKLT-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione (CID 64873607) is 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)C(C)(C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is AVOZCCLENYVKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)13-14(19)18(16(3,4)15(20)17-13)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,20).
What are the key properties of 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione?
1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64873607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).