N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide

C14H18BrN3O3 — CID 79758410

IUPACN-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18BrN3O3/c15-12-3-2-11(9-13(12)18(20)21)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,9-10,16H,1,4-8H2,(H,17,19)
InChIKeyRYZWYBULMUUPDZ-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.08
Rot. Bonds5

About N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide

N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide (PubChem CID 79758410) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide
PubChem CID79758410
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC NameN-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18BrN3O3/c15-12-3-2-11(9-13(12)18(20)21)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,9-10,16H,1,4-8H2,(H,17,19)
InChIKeyRYZWYBULMUUPDZ-UHFFFAOYSA-N
XLogP3.08
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide 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-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 82865757
N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 62211932
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
N-(4-bromo-3-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 79767852
6-(4-bromo-3-nitroanilino)-6-oxohexanoic acid
CID 79767512
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
CID 62210704
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
CID 62211718
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210193
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide (CID 79758410) is N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)Nc1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is RYZWYBULMUUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c15-12-3-2-11(9-13(12)18(20)21)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,9-10,16H,1,4-8H2,(H,17,19).
What are the key properties of N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide?
N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 356.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 79758410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).