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

C14H18N2O2 — CID 64959453

IUPAC1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccccc1N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H18N2O2/c1-9(2)13-14(18)16(8-12(17)15-13)11-7-5-4-6-10(11)3/h4-7,9,13H,8H2,1-3H3,(H,15,17)
InChIKeyWQDDIKMETFINLW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.48
Rot. Bonds2

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

1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64959453) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64959453
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccccc1N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H18N2O2/c1-9(2)13-14(18)16(8-12(17)15-13)11-7-5-4-6-10(11)3/h4-7,9,13H,8H2,1-3H3,(H,15,17)
InChIKeyWQDDIKMETFINLW-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64959453) is 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is Cc1ccccc1N1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is WQDDIKMETFINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)13-14(18)16(8-12(17)15-13)11-7-5-4-6-10(11)3/h4-7,9,13H,8H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64959453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).