1-(2-methylcyclohexyl)piperazine-2,5-dione

C11H18N2O2 — CID 64955602

IUPAC1-(2-methylcyclohexyl)piperazine-2,5-dione
SMILESCC1CCCCC1N1CC(=O)NCC1=O
InChIInChI=1S/C11H18N2O2/c1-8-4-2-3-5-9(8)13-7-10(14)12-6-11(13)15/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyNATHBWHZMISDLC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.52
Rot. Bonds1

About 1-(2-methylcyclohexyl)piperazine-2,5-dione

1-(2-methylcyclohexyl)piperazine-2,5-dione (PubChem CID 64955602) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)piperazine-2,5-dione
PubChem CID64955602
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-methylcyclohexyl)piperazine-2,5-dione
SMILESCC1CCCCC1N1CC(=O)NCC1=O
InChIInChI=1S/C11H18N2O2/c1-8-4-2-3-5-9(8)13-7-10(14)12-6-11(13)15/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyNATHBWHZMISDLC-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclohexyl)piperazin-2-one
CID 64566824
3-(2-methylcyclopentyl)imidazolidin-4-one
CID 83258065
1-(2-methylcycloheptyl)imidazolidin-2-one
CID 115370744
1-(oxan-3-yl)piperazine-2,5-dione
CID 64955997
1-(1,1-dioxothian-3-yl)piperazine-2,5-dione
CID 64956222
1-(oxolan-3-yl)piperazine-2,5-dione
CID 64873450
1-(3-methoxycyclohexyl)piperazine-2,5-dione
CID 64875228
1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64955530
1-(2-methylcyclopentyl)-1,3-diazinane-2,4-dione
CID 79777374
(8S,8aR)-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 127256799
2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
CID 164590118
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,4-diazepane-2,5-dione
CID 64966804

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)piperazine-2,5-dione?
The IUPAC name of 1-(2-methylcyclohexyl)piperazine-2,5-dione (CID 64955602) is 1-(2-methylcyclohexyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-methylcyclohexyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-methylcyclohexyl)piperazine-2,5-dione is CC1CCCCC1N1CC(=O)NCC1=O.
What is the InChIKey of 1-(2-methylcyclohexyl)piperazine-2,5-dione?
The InChIKey is NATHBWHZMISDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-4-2-3-5-9(8)13-7-10(14)12-6-11(13)15/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of 1-(2-methylcyclohexyl)piperazine-2,5-dione?
1-(2-methylcyclohexyl)piperazine-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)piperazine-2,5-dione is sourced from PubChem (CID 64955602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).