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

C12H25N3O — CID 79202672

IUPAC1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCCN1CCN(C(=O)C(C)CNC)CC1C
InChIInChI=1S/C12H25N3O/c1-5-14-6-7-15(9-11(14)3)12(16)10(2)8-13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyQAHDYMOMEQWVTE-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.39
Rot. Bonds4

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

1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 79202672) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID79202672
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCCN1CCN(C(=O)C(C)CNC)CC1C
InChIInChI=1S/C12H25N3O/c1-5-14-6-7-15(9-11(14)3)12(16)10(2)8-13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyQAHDYMOMEQWVTE-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one (CID 79202672) is 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one is CCN1CCN(C(=O)C(C)CNC)CC1C.
What is the InChIKey of 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is QAHDYMOMEQWVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-14-6-7-15(9-11(14)3)12(16)10(2)8-13-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 79202672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).