bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)

C28H56N8O4 — CID 158557490

IUPACbis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)
SMILESCC(=O)CN1CCNCC1.CC(=O)CN1CCNCC1.CC(=O)CN1CC[15NH]CC1.CC(=O)CN1CC[15NH]CC1
InChIInChI=1S/4C7H14N2O/c4*1-7(10)6-9-4-2-8-3-5-9/h4*8H,2-6H2,1H3/i2*8+1;;
InChIKeyHQLWZWIQXMXNMP-KWFCHFLGSA-N
MW570.79 g/mol
LogP-2.08
Rot. Bonds8

About bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)

bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one) (PubChem CID 158557490) has the molecular formula C28H56N8O4 and a molecular weight of 570.79 g/mol. Its IUPAC name is bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one).

Molecular Properties

Compound Namebis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)
PubChem CID158557490
Molecular FormulaC28H56N8O4
Molecular Weight570.79 g/mol
Exact Mass570.44
IUPAC Namebis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)
SMILESCC(=O)CN1CCNCC1.CC(=O)CN1CCNCC1.CC(=O)CN1CC[15NH]CC1.CC(=O)CN1CC[15NH]CC1
InChIInChI=1S/4C7H14N2O/c4*1-7(10)6-9-4-2-8-3-5-9/h4*8H,2-6H2,1H3/i2*8+1;;
InChIKeyHQLWZWIQXMXNMP-KWFCHFLGSA-N
XLogP-2.08
TPSA129.36 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.79
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)
CID 157327640
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
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
1-(15N)(15O)morpholin-4-yl(113C)propan-2-one;1-(15N)(15O)morpholin-4-yl(213C)propan-2-one;1-piperazin-1-yl(113C)propan-2-(18O)one;1-piperazin-1-yl(213C)propan-2-(18O)one
CID 157914748
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
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

Frequently Asked Questions

What is the IUPAC name of bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)?
The IUPAC name of bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one) (CID 158557490) is bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one).
What is the SMILES notation for bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)?
The canonical SMILES for bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one) is CC(=O)CN1CCNCC1.CC(=O)CN1CCNCC1.CC(=O)CN1CC[15NH]CC1.CC(=O)CN1CC[15NH]CC1.
What is the InChIKey of bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)?
The InChIKey is HQLWZWIQXMXNMP-KWFCHFLGSA-N. The full InChI is InChI=1S/4C7H14N2O/c4*1-7(10)6-9-4-2-8-3-5-9/h4*8H,2-6H2,1H3/i2*8+1;;.
What are the key properties of bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one)?
bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one) has a molecular weight of 570.79 g/mol, XLogP of -2.08, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-((415N)1,4-diazinan-1-yl)propan-2-one);bis(1-piperazin-1-ylpropan-2-one) is sourced from PubChem (CID 158557490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).