1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione

C17H22N2O2 — CID 64971848

IUPAC1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione
SMILESCC(CC1CC1)N1CC(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C17H22N2O2/c1-12(10-13-8-9-13)19-11-15(20)18-17(2,16(19)21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,20)
InChIKeyXRNPJPGONADMGI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds4

About 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione

1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione (PubChem CID 64971848) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione
PubChem CID64971848
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione
SMILESCC(CC1CC1)N1CC(=O)NC(C)(c2ccccc2)C1=O
InChIInChI=1S/C17H22N2O2/c1-12(10-13-8-9-13)19-11-15(20)18-17(2,16(19)21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,20)
InChIKeyXRNPJPGONADMGI-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione (CID 64971848) is 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione is CC(CC1CC1)N1CC(=O)NC(C)(c2ccccc2)C1=O.
What is the InChIKey of 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione?
The InChIKey is XRNPJPGONADMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(10-13-8-9-13)19-11-15(20)18-17(2,16(19)21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione?
1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64971848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).