2-methyl-N-(4-methylpiperazin-1-yl)propanamide

C9H19N3O — CID 3331812

IUPAC2-methyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-8(2)9(13)10-12-6-4-11(3)5-7-12/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyKWCFEZYCFXDHBL-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.08
Rot. Bonds2

About 2-methyl-N-(4-methylpiperazin-1-yl)propanamide

2-methyl-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 3331812) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID3331812
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-methyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-8(2)9(13)10-12-6-4-11(3)5-7-12/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyKWCFEZYCFXDHBL-UHFFFAOYSA-N
XLogP-0.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(4-methylpiperazin-1-yl)propanamide 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 2-methyl-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(4-methylpiperazin-1-yl)propanamide (CID 3331812) is 2-methyl-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(4-methylpiperazin-1-yl)propanamide is CC(C)C(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is KWCFEZYCFXDHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(2)9(13)10-12-6-4-11(3)5-7-12/h8H,4-7H2,1-3H3,(H,10,13).
What are the key properties of 2-methyl-N-(4-methylpiperazin-1-yl)propanamide?
2-methyl-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3331812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).