2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide

C12H23BrN2O2 — CID 62856343

IUPAC2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(Br)C(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C12H23BrN2O2/c1-3-11(13)12(17)15(8-9-16)10-4-6-14(2)7-5-10/h10-11,16H,3-9H2,1-2H3
InChIKeyFOOAPTMOMIJNQS-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.08
Rot. Bonds5

About 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide

2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 62856343) has the molecular formula C12H23BrN2O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID62856343
Molecular FormulaC12H23BrN2O2
Molecular Weight307.23 g/mol
Exact Mass306.09
IUPAC Name2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(Br)C(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C12H23BrN2O2/c1-3-11(13)12(17)15(8-9-16)10-4-6-14(2)7-5-10/h10-11,16H,3-9H2,1-2H3
InChIKeyFOOAPTMOMIJNQS-UHFFFAOYSA-N
XLogP1.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-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 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide (CID 62856343) is 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide is CCC(Br)C(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is FOOAPTMOMIJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O2/c1-3-11(13)12(17)15(8-9-16)10-4-6-14(2)7-5-10/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide?
2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 307.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 62856343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).