3-methyl-N-(4-methylpiperazin-1-yl)butanamide

C10H21N3O — CID 4118578

IUPAC3-methyl-N-(4-methylpiperazin-1-yl)butanamide
SMILESCC(C)CC(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H21N3O/c1-9(2)8-10(14)11-13-6-4-12(3)5-7-13/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeySERQLIKJECEFCS-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.31
Rot. Bonds3

About 3-methyl-N-(4-methylpiperazin-1-yl)butanamide

3-methyl-N-(4-methylpiperazin-1-yl)butanamide (PubChem CID 4118578) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpiperazin-1-yl)butanamide
PubChem CID4118578
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-methyl-N-(4-methylpiperazin-1-yl)butanamide
SMILESCC(C)CC(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H21N3O/c1-9(2)8-10(14)11-13-6-4-12(3)5-7-13/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeySERQLIKJECEFCS-UHFFFAOYSA-N
XLogP0.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(4-methylpiperazin-1-yl)butanamide 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 3-methyl-N-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of 3-methyl-N-(4-methylpiperazin-1-yl)butanamide (CID 4118578) is 3-methyl-N-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for 3-methyl-N-(4-methylpiperazin-1-yl)butanamide is CC(C)CC(=O)NN1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is SERQLIKJECEFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2)8-10(14)11-13-6-4-12(3)5-7-13/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of 3-methyl-N-(4-methylpiperazin-1-yl)butanamide?
3-methyl-N-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 199.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 4118578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).