3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione

C15H26N2O2 — CID 64968328

IUPAC3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2(C)CCCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-10(2)12-13(18)16-11(3)14(19)17(12)15(4)8-6-5-7-9-15/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyIKKXHQTVVINUDX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds2

About 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64968328) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64968328
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2(C)CCCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-10(2)12-13(18)16-11(3)14(19)17(12)15(4)8-6-5-7-9-15/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyIKKXHQTVVINUDX-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282
3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 113482349
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973556
1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878671
2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944933
3-ethyl-3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968189
1-(1-cyclohexylethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64969249
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64968342
3,3,6-trimethyl-1-(1-methylcyclohexyl)piperazine-2,5-dione
CID 64968258
3-butan-2-yl-6-methyl-1-(1-methylcyclobutyl)piperazine-2,5-dione
CID 113486087
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958010

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64968328) is 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(C2(C)CCCCC2)C1=O.
What is the InChIKey of 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IKKXHQTVVINUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)12-13(18)16-11(3)14(19)17(12)15(4)8-6-5-7-9-15/h10-12H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64968328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).