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

C21H36N4O3 — CID 168818764

IUPAC4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2OC2CCCC2)CC1=O
InChIInChI=1S/C21H36N4O3/c1-15-6-2-3-7-16(15)13-25-11-10-24(14-19(25)26)18-12-22-23-21(27)20(18)28-17-8-4-5-9-17/h15-18,20,22H,2-14H2,1H3,(H,23,27)
InChIKeyRDXWSOBGBXCWRF-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.29
Rot. Bonds5

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

4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (PubChem CID 168818764) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
PubChem CID168818764
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2OC2CCCC2)CC1=O
InChIInChI=1S/C21H36N4O3/c1-15-6-2-3-7-16(15)13-25-11-10-24(14-19(25)26)18-12-22-23-21(27)20(18)28-17-8-4-5-9-17/h15-18,20,22H,2-14H2,1H3,(H,23,27)
InChIKeyRDXWSOBGBXCWRF-UHFFFAOYSA-N
XLogP1.29
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The IUPAC name of 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (CID 168818764) is 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is CC1CCCCC1CN1CCN(C2CNNC(=O)C2OC2CCCC2)CC1=O.
What is the InChIKey of 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The InChIKey is RDXWSOBGBXCWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-15-6-2-3-7-16(15)13-25-11-10-24(14-19(25)26)18-12-22-23-21(27)20(18)28-17-8-4-5-9-17/h15-18,20,22H,2-14H2,1H3,(H,23,27).
What are the key properties of 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one has a molecular weight of 392.54 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is sourced from PubChem (CID 168818764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).