2-bromo-N-(4-piperidin-1-ylphenyl)butanamide

C15H21BrN2O — CID 62856119

IUPAC2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H21BrN2O/c1-2-14(16)15(19)17-12-6-8-13(9-7-12)18-10-4-3-5-11-18/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyWXJJLEFVRIPTMO-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.79
Rot. Bonds4

About 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide

2-bromo-N-(4-piperidin-1-ylphenyl)butanamide (PubChem CID 62856119) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
PubChem CID62856119
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H21BrN2O/c1-2-14(16)15(19)17-12-6-8-13(9-7-12)18-10-4-3-5-11-18/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyWXJJLEFVRIPTMO-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-N-(4-piperidin-1-ylphenyl)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

N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 62855932
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
CID 1480241
2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 43713003
(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300
(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 94033094
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide (CID 62856119) is 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide is CCC(Br)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide?
The InChIKey is WXJJLEFVRIPTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-14(16)15(19)17-12-6-8-13(9-7-12)18-10-4-3-5-11-18/h6-9,14H,2-5,10-11H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide?
2-bromo-N-(4-piperidin-1-ylphenyl)butanamide has a molecular weight of 325.25 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 62856119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).