1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione

C14H24N2O3 — CID 64875190

IUPAC1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCOC1CCCC(N2C(=O)C(C)(C)NC(=O)C2C)C1
InChIInChI=1S/C14H24N2O3/c1-9-12(17)15-14(2,3)13(18)16(9)10-6-5-7-11(8-10)19-4/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyDIMXWMOJDAIJBL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds2

About 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione

1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 64875190) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID64875190
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCOC1CCCC(N2C(=O)C(C)(C)NC(=O)C2C)C1
InChIInChI=1S/C14H24N2O3/c1-9-12(17)15-14(2,3)13(18)16(9)10-6-5-7-11(8-10)19-4/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyDIMXWMOJDAIJBL-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione (CID 64875190) is 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione is COC1CCCC(N2C(=O)C(C)(C)NC(=O)C2C)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is DIMXWMOJDAIJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-12(17)15-14(2,3)13(18)16(9)10-6-5-7-11(8-10)19-4/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione?
1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64875190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).