1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione

C16H22N2O2 — CID 64970610

IUPAC1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(C(C)Cc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)15-16(20)18(10-14(19)17-15)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,17,19)
InChIKeyACDOENPKFVJCOE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.60
Rot. Bonds4

About 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione

1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64970610) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64970610
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(C(C)Cc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)15-16(20)18(10-14(19)17-15)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,17,19)
InChIKeyACDOENPKFVJCOE-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione (CID 64970610) is 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(C(C)Cc2ccccc2)C1=O.
What is the InChIKey of 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ACDOENPKFVJCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)15-16(20)18(10-14(19)17-15)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,17,19).
What are the key properties of 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64970610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).