6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione

C13H22N2O2 — CID 114095172

IUPAC6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1CC1(C)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-10-12(17)14-8-11(16)15(10)9-13(2)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyOYDKAMAWONLLIZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds2

About 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione

6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione (PubChem CID 114095172) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione
PubChem CID114095172
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1CC1(C)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-10-12(17)14-8-11(16)15(10)9-13(2)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyOYDKAMAWONLLIZ-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione (CID 114095172) is 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione is CC1C(=O)NCC(=O)N1CC1(C)CCCCC1.
What is the InChIKey of 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione?
The InChIKey is OYDKAMAWONLLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-12(17)14-8-11(16)15(10)9-13(2)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione?
6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 114095172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).