2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide

C13H26BrN3O — CID 114014439

IUPAC2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(Br)C(=O)N(CCN(C)C)C1CCN(C)CC1
InChIInChI=1S/C13H26BrN3O/c1-11(14)13(18)17(10-9-15(2)3)12-5-7-16(4)8-6-12/h11-12H,5-10H2,1-4H3
InChIKeyDAONSXXOCQAHRQ-UHFFFAOYSA-N
MW320.28 g/mol
LogP1.25
Rot. Bonds5

About 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide

2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 114014439) has the molecular formula C13H26BrN3O and a molecular weight of 320.28 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID114014439
Molecular FormulaC13H26BrN3O
Molecular Weight320.28 g/mol
Exact Mass319.13
IUPAC Name2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(Br)C(=O)N(CCN(C)C)C1CCN(C)CC1
InChIInChI=1S/C13H26BrN3O/c1-11(14)13(18)17(10-9-15(2)3)12-5-7-16(4)8-6-12/h11-12H,5-10H2,1-4H3
InChIKeyDAONSXXOCQAHRQ-UHFFFAOYSA-N
XLogP1.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-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

Related Compounds

3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897698
2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60954174
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62232103
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 54873923
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 61266425
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(1-methylpiperidin-4-yl)butanamide
CID 79203320
5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60950165
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 79805247
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950158
5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
CID 60948355
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)formamide
CID 64992864
3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 62726840

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide (CID 114014439) is 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide is CC(Br)C(=O)N(CCN(C)C)C1CCN(C)CC1.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is DAONSXXOCQAHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN3O/c1-11(14)13(18)17(10-9-15(2)3)12-5-7-16(4)8-6-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide?
2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 320.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 114014439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).