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

C16H22N2O2 — CID 64902180

IUPAC6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)C(C)(C)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-13(10-12-8-6-5-7-9-12)14(19)17-16(3,4)15(18)20/h5-9,11,13H,10H2,1-4H3,(H,17,19)
InChIKeyHADUSWOETZECDK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.74
Rot. Bonds3

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

6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione (PubChem CID 64902180) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione
PubChem CID64902180
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)C(C)(C)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-13(10-12-8-6-5-7-9-12)14(19)17-16(3,4)15(18)20/h5-9,11,13H,10H2,1-4H3,(H,17,19)
InChIKeyHADUSWOETZECDK-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione (CID 64902180) is 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione is CC(C)N1C(=O)C(C)(C)NC(=O)C1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione?
The InChIKey is HADUSWOETZECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-13(10-12-8-6-5-7-9-12)14(19)17-16(3,4)15(18)20/h5-9,11,13H,10H2,1-4H3,(H,17,19).
What are the key properties of 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione?
6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64902180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).