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

C17H30N4O3 — CID 168818756

IUPAC4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCOC1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1
InChIInChI=1S/C17H30N4O3/c1-12-5-3-4-6-13(12)10-21-8-7-20(11-15(21)22)14-9-18-19-17(23)16(14)24-2/h12-14,16,18H,3-11H2,1-2H3,(H,19,23)
InChIKeyPFURRDXMVOHLLW-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.03
Rot. Bonds4

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

4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (PubChem CID 168818756) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
PubChem CID168818756
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCOC1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1
InChIInChI=1S/C17H30N4O3/c1-12-5-3-4-6-13(12)10-21-8-7-20(11-15(21)22)14-9-18-19-17(23)16(14)24-2/h12-14,16,18H,3-11H2,1-2H3,(H,19,23)
InChIKeyPFURRDXMVOHLLW-UHFFFAOYSA-N
XLogP-0.03
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The IUPAC name of 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (CID 168818756) is 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is COC1C(=O)NNCC1N1CCN(CC2CCCCC2C)C(=O)C1.
What is the InChIKey of 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The InChIKey is PFURRDXMVOHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12-5-3-4-6-13(12)10-21-8-7-20(11-15(21)22)14-9-18-19-17(23)16(14)24-2/h12-14,16,18H,3-11H2,1-2H3,(H,19,23).
What are the key properties of 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one has a molecular weight of 338.45 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is sourced from PubChem (CID 168818756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).