6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione

C12H22N2O2 — CID 64872371

IUPAC6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(CC(C)C)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-6-10-12(16)14(7-8(2)3)9(4)11(15)13-10/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeySOQJBFCOGSWFBW-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione

6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione (PubChem CID 64872371) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
PubChem CID64872371
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(CC(C)C)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-6-10-12(16)14(7-8(2)3)9(4)11(15)13-10/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeySOQJBFCOGSWFBW-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872963
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
3-(2-methylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83242304
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627626
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione (CID 64872371) is 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(CC(C)C)C1=O.
What is the InChIKey of 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
The InChIKey is SOQJBFCOGSWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-10-12(16)14(7-8(2)3)9(4)11(15)13-10/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione?
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).