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

C10H20BrN3O — CID 83011685

IUPAC2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide
SMILESCC(C)C(Br)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H20BrN3O/c1-8(2)9(11)10(15)12-14-6-4-13(3)5-7-14/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyJBRTZUMYHIYDQJ-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.68
Rot. Bonds3

About 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide

2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide (PubChem CID 83011685) has the molecular formula C10H20BrN3O and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide
PubChem CID83011685
Molecular FormulaC10H20BrN3O
Molecular Weight278.19 g/mol
Exact Mass277.08
IUPAC Name2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide
SMILESCC(C)C(Br)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C10H20BrN3O/c1-8(2)9(11)10(15)12-14-6-4-13(3)5-7-14/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyJBRTZUMYHIYDQJ-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-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

Related Compounds

2-bromo-3-methyl-N-piperidin-1-ylbutanamide
CID 83012008
2-bromo-3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 61251741
2-amino-N-(4-methylpiperazin-1-yl)butanediamide
CID 83015245
2-(azetidin-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 116678776
(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
CID 83017050
1-hydroxy-3-(4-methylpiperazin-1-yl)urea
CID 23526196
2-bromo-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 43209354
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020654
2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020744
4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83020487
3-methyl-N-piperidin-1-yl-2-sulfanylbutanamide
CID 107033871
3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid
CID 83005393

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide (CID 83011685) is 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide is CC(C)C(Br)C(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is JBRTZUMYHIYDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN3O/c1-8(2)9(11)10(15)12-14-6-4-13(3)5-7-14/h8-9H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide?
2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 278.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 83011685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).