6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one

C16H24N4O — CID 73369318

IUPAC6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one
SMILESCc1ccccc1C1CC(=O)NC(N2CCN(C)CC2)N1
InChIInChI=1S/C16H24N4O/c1-12-5-3-4-6-13(12)14-11-15(21)18-16(17-14)20-9-7-19(2)8-10-20/h3-6,14,16-17H,7-11H2,1-2H3,(H,18,21)
InChIKeyCCQHQQOMELUNRT-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.68
Rot. Bonds2

About 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one

6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one (PubChem CID 73369318) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one
PubChem CID73369318
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one
SMILESCc1ccccc1C1CC(=O)NC(N2CCN(C)CC2)N1
InChIInChI=1S/C16H24N4O/c1-12-5-3-4-6-13(12)14-11-15(21)18-16(17-14)20-9-7-19(2)8-10-20/h3-6,14,16-17H,7-11H2,1-2H3,(H,18,21)
InChIKeyCCQHQQOMELUNRT-UHFFFAOYSA-N
XLogP0.68
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one?
The IUPAC name of 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one (CID 73369318) is 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one.
What is the SMILES notation for 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one?
The canonical SMILES for 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one is Cc1ccccc1C1CC(=O)NC(N2CCN(C)CC2)N1.
What is the InChIKey of 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one?
The InChIKey is CCQHQQOMELUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-5-3-4-6-13(12)14-11-15(21)18-16(17-14)20-9-7-19(2)8-10-20/h3-6,14,16-17H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one?
6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one has a molecular weight of 288.39 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one is sourced from PubChem (CID 73369318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).