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

C18H32N4O2 — CID 168818733

IUPAC4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCCC1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1
InChIInChI=1S/C18H32N4O2/c1-3-15-16(10-19-20-18(15)24)21-8-9-22(17(23)12-21)11-14-7-5-4-6-13(14)2/h13-16,19H,3-12H2,1-2H3,(H,20,24)
InChIKeyYLTCFMDERQHIMI-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.99
Rot. Bonds4

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

4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (PubChem CID 168818733) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
PubChem CID168818733
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCCC1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1
InChIInChI=1S/C18H32N4O2/c1-3-15-16(10-19-20-18(15)24)21-8-9-22(17(23)12-21)11-14-7-5-4-6-13(14)2/h13-16,19H,3-12H2,1-2H3,(H,20,24)
InChIKeyYLTCFMDERQHIMI-UHFFFAOYSA-N
XLogP0.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The IUPAC name of 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (CID 168818733) is 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is CCC1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1.
What is the InChIKey of 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The InChIKey is YLTCFMDERQHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-3-15-16(10-19-20-18(15)24)21-8-9-22(17(23)12-21)11-14-7-5-4-6-13(14)2/h13-16,19H,3-12H2,1-2H3,(H,20,24).
What are the key properties of 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one has a molecular weight of 336.48 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is sourced from PubChem (CID 168818733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).