1-(3-methoxycyclohexyl)piperazine-2,5-dione

C11H18N2O3 — CID 64875228

IUPAC1-(3-methoxycyclohexyl)piperazine-2,5-dione
SMILESCOC1CCCC(N2CC(=O)NCC2=O)C1
InChIInChI=1S/C11H18N2O3/c1-16-9-4-2-3-8(5-9)13-7-10(14)12-6-11(13)15/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyHOYVNAVNZJMCGE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds2

About 1-(3-methoxycyclohexyl)piperazine-2,5-dione

1-(3-methoxycyclohexyl)piperazine-2,5-dione (PubChem CID 64875228) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)piperazine-2,5-dione
PubChem CID64875228
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(3-methoxycyclohexyl)piperazine-2,5-dione
SMILESCOC1CCCC(N2CC(=O)NCC2=O)C1
InChIInChI=1S/C11H18N2O3/c1-16-9-4-2-3-8(5-9)13-7-10(14)12-6-11(13)15/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyHOYVNAVNZJMCGE-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-methoxycyclohexyl)piperazine-2,5-dione (CID 64875228) is 1-(3-methoxycyclohexyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-methoxycyclohexyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-methoxycyclohexyl)piperazine-2,5-dione is COC1CCCC(N2CC(=O)NCC2=O)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)piperazine-2,5-dione?
The InChIKey is HOYVNAVNZJMCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-9-4-2-3-8(5-9)13-7-10(14)12-6-11(13)15/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of 1-(3-methoxycyclohexyl)piperazine-2,5-dione?
1-(3-methoxycyclohexyl)piperazine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)piperazine-2,5-dione is sourced from PubChem (CID 64875228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).