1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one

C72H152N24O8 — CID 159365572

IUPAC1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
SMILESCNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1
InChIInChI=1S/8C9H19N3O/c8*1-10-7-9(13)8-12-5-3-11(2)4-6-12/h8*10H,3-8H2,1-2H3
InChIKeyLJBWQYZRKGWRNA-UHFFFAOYSA-N
MW1482.17 g/mol
LogP-7.82
Rot. Bonds32

About 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one

1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one (PubChem CID 159365572) has the molecular formula C72H152N24O8 and a molecular weight of 1482.17 g/mol. Its IUPAC name is 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
PubChem CID159365572
Molecular FormulaC72H152N24O8
Molecular Weight1482.17 g/mol
Exact Mass1481.22
IUPAC Name1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
SMILESCNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1
InChIInChI=1S/8C9H19N3O/c8*1-10-7-9(13)8-12-5-3-11(2)4-6-12/h8*10H,3-8H2,1-2H3
InChIKeyLJBWQYZRKGWRNA-UHFFFAOYSA-N
XLogP-7.82
TPSA284.64 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.17
LogP ≤ 5-7.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

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Related Compounds

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
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
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 158995902
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 159023353
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 159447623

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one (CID 159365572) is 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one is CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1.
What is the InChIKey of 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one?
The InChIKey is LJBWQYZRKGWRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/8C9H19N3O/c8*1-10-7-9(13)8-12-5-3-11(2)4-6-12/h8*10H,3-8H2,1-2H3.
What are the key properties of 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one?
1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one has a molecular weight of 1482.17 g/mol, XLogP of -7.82, 32 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 159365572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).