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

C15H26N2O3 — CID 64879586

IUPAC1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOC1CCCC(N2CC(=O)NC(CC(C)C)C2=O)C1
InChIInChI=1S/C15H26N2O3/c1-10(2)7-13-15(19)17(9-14(18)16-13)11-5-4-6-12(8-11)20-3/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyVLUKKPZASNTNJG-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds4

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

1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64879586) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64879586
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOC1CCCC(N2CC(=O)NC(CC(C)C)C2=O)C1
InChIInChI=1S/C15H26N2O3/c1-10(2)7-13-15(19)17(9-14(18)16-13)11-5-4-6-12(8-11)20-3/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyVLUKKPZASNTNJG-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothian-4-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960905
1-(3-methoxycyclohexyl)piperazine-2,5-dione
CID 64875228
1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64972851
1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959091
1-(3-methoxycyclohexyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882548
1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958879
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
3-cyclobutyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 115927918
4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878820
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391
5-ethyl-1-(3-methoxycyclohexyl)-2-(2-methylpropyl)piperazine
CID 64842914

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64879586) is 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione is COC1CCCC(N2CC(=O)NC(CC(C)C)C2=O)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is VLUKKPZASNTNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)7-13-15(19)17(9-14(18)16-13)11-5-4-6-12(8-11)20-3/h10-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64879586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).