3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

C15H21BrN2O — CID 108739357

IUPAC3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCBr)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C15H21BrN2O/c16-9-8-15(19)17-14-6-4-13(5-7-14)12-18-10-2-1-3-11-18/h4-7H,1-3,8-12H2,(H,17,19)
InChIKeyJWKQBHPKNRWDIN-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.40
Rot. Bonds5

About 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (PubChem CID 108739357) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
PubChem CID108739357
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCBr)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C15H21BrN2O/c16-9-8-15(19)17-14-6-4-13(5-7-14)12-18-10-2-1-3-11-18/h4-7H,1-3,8-12H2,(H,17,19)
InChIKeyJWKQBHPKNRWDIN-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]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

4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108739319
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
2-(cyclopropylamino)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 43816897
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19565638
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762073

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide (CID 108739357) is 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is O=C(CCBr)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is JWKQBHPKNRWDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-9-8-15(19)17-14-6-4-13(5-7-14)12-18-10-2-1-3-11-18/h4-7H,1-3,8-12H2,(H,17,19).
What are the key properties of 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide?
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 325.25 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 108739357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).