4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one

C22H38N4O3 — CID 168818767

IUPAC4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2OC2CCCCC2)CC1=O
InChIInChI=1S/C22H38N4O3/c1-16-7-5-6-8-17(16)14-26-12-11-25(15-20(26)27)19-13-23-24-22(28)21(19)29-18-9-3-2-4-10-18/h16-19,21,23H,2-15H2,1H3,(H,24,28)
InChIKeyHHAFIYIZOOEGLD-UHFFFAOYSA-N
MW406.57 g/mol
LogP1.68
Rot. Bonds5

About 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one

4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (PubChem CID 168818767) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
PubChem CID168818767
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2OC2CCCCC2)CC1=O
InChIInChI=1S/C22H38N4O3/c1-16-7-5-6-8-17(16)14-26-12-11-25(15-20(26)27)19-13-23-24-22(28)21(19)29-18-9-3-2-4-10-18/h16-19,21,23H,2-15H2,1H3,(H,24,28)
InChIKeyHHAFIYIZOOEGLD-UHFFFAOYSA-N
XLogP1.68
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The IUPAC name of 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (CID 168818767) is 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is CC1CCCCC1CN1CCN(C2CNNC(=O)C2OC2CCCCC2)CC1=O.
What is the InChIKey of 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The InChIKey is HHAFIYIZOOEGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-16-7-5-6-8-17(16)14-26-12-11-25(15-20(26)27)19-13-23-24-22(28)21(19)29-18-9-3-2-4-10-18/h16-19,21,23H,2-15H2,1H3,(H,24,28).
What are the key properties of 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one has a molecular weight of 406.57 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is sourced from PubChem (CID 168818767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).