4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one

C17H32N4O2 — CID 142546978

IUPAC4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one
SMILESCCCC(CN1CCN(C2CNNC(=O)C2C)CC1=O)C(C)C
InChIInChI=1S/C17H32N4O2/c1-5-6-14(12(2)3)10-21-8-7-20(11-16(21)22)15-9-18-19-17(23)13(15)4/h12-15,18H,5-11H2,1-4H3,(H,19,23)
InChIKeyNXXHIMDCALDVST-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.84
Rot. Bonds6

About 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one

4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one (PubChem CID 142546978) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one
PubChem CID142546978
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one
SMILESCCCC(CN1CCN(C2CNNC(=O)C2C)CC1=O)C(C)C
InChIInChI=1S/C17H32N4O2/c1-5-6-14(12(2)3)10-21-8-7-20(11-16(21)22)15-9-18-19-17(23)13(15)4/h12-15,18H,5-11H2,1-4H3,(H,19,23)
InChIKeyNXXHIMDCALDVST-UHFFFAOYSA-N
XLogP0.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one?
The IUPAC name of 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one (CID 142546978) is 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one.
What is the SMILES notation for 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one?
The canonical SMILES for 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one is CCCC(CN1CCN(C2CNNC(=O)C2C)CC1=O)C(C)C.
What is the InChIKey of 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one?
The InChIKey is NXXHIMDCALDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-5-6-14(12(2)3)10-21-8-7-20(11-16(21)22)15-9-18-19-17(23)13(15)4/h12-15,18H,5-11H2,1-4H3,(H,19,23).
What are the key properties of 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one?
4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one has a molecular weight of 324.47 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-6-oxodiazinan-4-yl)-1-(2-propan-2-ylpentyl)piperazin-2-one is sourced from PubChem (CID 142546978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).