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

C90H190N30O10 — CID 159447623

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.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1
InChIInChI=1S/10C9H19N3O/c10*1-10-7-9(13)8-12-5-3-11(2)4-6-12/h10*10H,3-8H2,1-2H3
InChIKeyLSYODCPBBNIMJJ-UHFFFAOYSA-N
MW1852.71 g/mol
LogP-9.78
Rot. Bonds40

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

1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one (PubChem CID 159447623) has the molecular formula C90H190N30O10 and a molecular weight of 1852.71 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 CID159447623
Molecular FormulaC90H190N30O10
Molecular Weight1852.71 g/mol
Exact Mass1851.53
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.CNCC(=O)CN1CCN(C)CC1.CNCC(=O)CN1CCN(C)CC1
InChIInChI=1S/10C9H19N3O/c10*1-10-7-9(13)8-12-5-3-11(2)4-6-12/h10*10H,3-8H2,1-2H3
InChIKeyLSYODCPBBNIMJJ-UHFFFAOYSA-N
XLogP-9.78
TPSA355.80 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds40
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.71
LogP ≤ 5-9.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 159365572

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 159447623) 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.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 LSYODCPBBNIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/10C9H19N3O/c10*1-10-7-9(13)8-12-5-3-11(2)4-6-12/h10*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 1852.71 g/mol, XLogP of -9.78, 40 rotatable bonds, 10 hydrogen bond donors, and 40 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 159447623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).