1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one

C32H64N8O4 — CID 157373064

IUPAC1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one
SMILESCC(=O)[13CH2][15N]1CCN(C)[13CH2][13CH2]1.CC(=[18O])[13CH2][15N]1CCN(C)CC1.C[13C](=O)C[15N]1CCN(C)[13CH2][13CH2]1.C[13C](=[18O])[13CH2]N1CCN(C)CC1
InChIInChI=1S/4C8H16N2O/c4*1-8(11)7-10-5-3-9(2)4-6-10/h4*3-7H2,1-2H3/i3+1,5+1,8+1,10+1;3+1,5+1,7+1,10+1;7+1,10+1,11+2;7+1,8+1,11+2
InChIKeyBJZMFSSWZDKRQM-IHTNWPRQSA-N
MW640.83 g/mol
LogP-0.71
Rot. Bonds8

About 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one

1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one (PubChem CID 157373064) has the molecular formula C32H64N8O4 and a molecular weight of 640.83 g/mol. Its IUPAC name is 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one.

Molecular Properties

Compound Name1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one
PubChem CID157373064
Molecular FormulaC32H64N8O4
Molecular Weight640.83 g/mol
Exact Mass640.53
IUPAC Name1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one
SMILESCC(=O)[13CH2][15N]1CCN(C)[13CH2][13CH2]1.CC(=[18O])[13CH2][15N]1CCN(C)CC1.C[13C](=O)C[15N]1CCN(C)[13CH2][13CH2]1.C[13C](=[18O])[13CH2]N1CCN(C)CC1
InChIInChI=1S/4C8H16N2O/c4*1-8(11)7-10-5-3-9(2)4-6-10/h4*3-7H2,1-2H3/i3+1,5+1,8+1,10+1;3+1,5+1,7+1,10+1;7+1,10+1,11+2;7+1,8+1,11+2
InChIKeyBJZMFSSWZDKRQM-IHTNWPRQSA-N
XLogP-0.71
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one with MolForge

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Related Compounds

1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(213C)propan-2-(18O)one;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one;1-(4-methylpiperazin-1-yl)(213C)propan-2-(18O)one
CID 157373065
CID 157373066
CID 157373066
1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one;1-(4-methylpiperazin-1-yl)(213C)propan-2-(18O)one
CID 157373067
methane;1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one
CID 158315070
Methane;hexakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)
CID 158535643
bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)
CID 158557490
1-((1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;1-((1,4-15N2)1,4-diazinan-1-yl)(213C)propan-2-one;1-piperazin-1-yl(113C)propan-2-(18O)one;1-piperazin-1-yl(213C)propan-2-(18O)one
CID 158557491
2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one
CID 158701632
methane;2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde
CID 158842003
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 158995902
Methane;octakis(1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one)
CID 159113202
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 159365572

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one?
The IUPAC name of 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one (CID 157373064) is 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one.
What is the SMILES notation for 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one?
The canonical SMILES for 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one is CC(=O)[13CH2][15N]1CCN(C)[13CH2][13CH2]1.CC(=[18O])[13CH2][15N]1CCN(C)CC1.C[13C](=O)C[15N]1CCN(C)[13CH2][13CH2]1.C[13C](=[18O])[13CH2]N1CCN(C)CC1.
What is the InChIKey of 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one?
The InChIKey is BJZMFSSWZDKRQM-IHTNWPRQSA-N. The full InChI is InChI=1S/4C8H16N2O/c4*1-8(11)7-10-5-3-9(2)4-6-10/h4*3-7H2,1-2H3/i3+1,5+1,8+1,10+1;3+1,5+1,7+1,10+1;7+1,10+1,11+2;7+1,8+1,11+2.
What are the key properties of 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one?
1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one has a molecular weight of 640.83 g/mol, XLogP of -0.71, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-(115N)1,4-diazinan-1-yl)(113C)propan-2-(18O)one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)propan-2-one;1-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(213C)propan-2-one;1-(4-methylpiperazin-1-yl)(1,2-13C2)propan-2-(18O)one is sourced from PubChem (CID 157373064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).