2-bromo-N-(4-methylpiperidin-3-yl)acetamide

C8H15BrN2O — CID 165439704

IUPAC2-bromo-N-(4-methylpiperidin-3-yl)acetamide
SMILESCC1CCNCC1NC(=O)CBr
InChIInChI=1S/C8H15BrN2O/c1-6-2-3-10-5-7(6)11-8(12)4-9/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeySGUYRCOWUSZENF-UHFFFAOYSA-N
MW235.12 g/mol
LogP0.50
Rot. Bonds2

About 2-bromo-N-(4-methylpiperidin-3-yl)acetamide

2-bromo-N-(4-methylpiperidin-3-yl)acetamide (PubChem CID 165439704) has the molecular formula C8H15BrN2O and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-bromo-N-(4-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-methylpiperidin-3-yl)acetamide
PubChem CID165439704
Molecular FormulaC8H15BrN2O
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name2-bromo-N-(4-methylpiperidin-3-yl)acetamide
SMILESCC1CCNCC1NC(=O)CBr
InChIInChI=1S/C8H15BrN2O/c1-6-2-3-10-5-7(6)11-8(12)4-9/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeySGUYRCOWUSZENF-UHFFFAOYSA-N
XLogP0.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(4-methylpiperidin-3-yl)acetamide 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

N-(4-methylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602524
N-(4-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602525
N-(4-methylpiperidin-3-yl)nonanamide
CID 65449508
2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide
CID 131048531
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266
2,2-dimethyl-N-(4-methylpiperidin-3-yl)butanamide
CID 63329342
1-tert-butyl-3-(4-methylpiperidin-3-yl)urea
CID 63329745
3-amino-N-(4-methylpiperidin-3-yl)-3-phenylpropanamide
CID 122081114
N-(4-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 79161523
3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
CID 63326352
2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
CID 156654436
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-bromo-N-(4-methylpiperidin-3-yl)acetamide (CID 165439704) is 2-bromo-N-(4-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-bromo-N-(4-methylpiperidin-3-yl)acetamide is CC1CCNCC1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(4-methylpiperidin-3-yl)acetamide?
The InChIKey is SGUYRCOWUSZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O/c1-6-2-3-10-5-7(6)11-8(12)4-9/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-bromo-N-(4-methylpiperidin-3-yl)acetamide?
2-bromo-N-(4-methylpiperidin-3-yl)acetamide has a molecular weight of 235.12 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 165439704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).