N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide

C14H18BrN3O3 — CID 62211932

IUPACN-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18BrN3O3/c15-11-2-3-12(13(9-11)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)
InChIKeyZCAPYMQKQOYGNK-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.08
Rot. Bonds5

About N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide

N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide (PubChem CID 62211932) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
PubChem CID62211932
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC NameN-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18BrN3O3/c15-11-2-3-12(13(9-11)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)
InChIKeyZCAPYMQKQOYGNK-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'}

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Related Compounds

N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide
CID 43711563
N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 79758410
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210447
N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 82865757
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide
CID 62098447
(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
CID 81124120
(3S,4S)-4-(4-bromo-2-nitroanilino)piperidin-3-ol;hydrochloride
CID 131729090
N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2959932
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide (CID 62211932) is N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is ZCAPYMQKQOYGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c15-11-2-3-12(13(9-11)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-2-nitrophenyl)-3-piperidin-4-ylpropanamide?
N-(4-bromo-2-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-2-nitrophenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).