4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one

C12H25N3O — CID 156836447

IUPAC4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
SMILESCCNCC(C)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-4-13-10-11(2)9-12(16)15-7-5-14(3)6-8-15/h11,13H,4-10H2,1-3H3
InChIKeyCJLVCUDQBKWBNO-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.40
Rot. Bonds5

About 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one

4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one (PubChem CID 156836447) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
PubChem CID156836447
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
SMILESCCNCC(C)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-4-13-10-11(2)9-12(16)15-7-5-14(3)6-8-15/h11,13H,4-10H2,1-3H3
InChIKeyCJLVCUDQBKWBNO-UHFFFAOYSA-N
XLogP0.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one (CID 156836447) is 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one is CCNCC(C)CC(=O)N1CCN(C)CC1.
What is the InChIKey of 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one?
The InChIKey is CJLVCUDQBKWBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-13-10-11(2)9-12(16)15-7-5-14(3)6-8-15/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one?
4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 156836447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).