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

C28H56N8O4 — CID 158557491

About 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

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 (PubChem CID 158557491) has the molecular formula C28H56N8O4 and a molecular weight of 580.75 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158557491
• Molecular Formula: C28H56N8O4
• Molecular Weight: 580.75 g/mol
• Exact Mass: 580.45
• IUPAC Name: 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
• SMILES: CC(=O)[13CH2][15N]1CC[15NH]CC1.CC(=[18O])[13CH2]N1CCNCC1.C[13C](=O)C[15N]1CC[15NH]CC1.C[13C](=[18O])CN1CCNCC1
• InChI: InChI=1S/4C7H14N2O/c4*1-7(10)6-9-4-2-8-3-5-9/h4*8H,2-6H2,1H3/i7+1,8+1,9+1;6+1,8+1,9+1;7+1,10+2;6+1,10+2
• InChIKey: HQLWZWIQXMXNMP-LMYKOJFMSA-N
• XLogP: -2.08
• TPSA: 129.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.75
LogP ≤ 5	-2.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)[13CH2][15N]1CC[15NH]CC1.CC(=[18O])[13CH2]N1CCNCC1.C[13C](=O)C[15N]1CC[15NH]CC1.C[13C](=[18O])CN1CCNCC1.

What is the InChIKey of 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?

The InChIKey is HQLWZWIQXMXNMP-LMYKOJFMSA-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/i7+1,8+1,9+1;6+1,8+1,9+1;7+1,10+2;6+1,10+2.

What are the key properties of 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?

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 has a molecular weight of 580.75 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 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 is sourced from PubChem (CID 158557491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).