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

C13H16BrN3O3 — CID 62674890

IUPACN-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16BrN3O3/c14-10-3-4-11(12(7-10)17(19)20)16-13(18)6-9-2-1-5-15-8-9/h3-4,7,9,15H,1-2,5-6,8H2,(H,16,18)
InChIKeyJIXBNRMLCHICSC-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.69
Rot. Bonds4

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

N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide (PubChem CID 62674890) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
PubChem CID62674890
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC NameN-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16BrN3O3/c14-10-3-4-11(12(7-10)17(19)20)16-13(18)6-9-2-1-5-15-8-9/h3-4,7,9,15H,1-2,5-6,8H2,(H,16,18)
InChIKeyJIXBNRMLCHICSC-UHFFFAOYSA-N
XLogP2.69
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.69
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

(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
CID 81124120
N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 62211932
2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 64616370
5-bromo-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 65343623
2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 64615986
N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide
CID 43711563
(3S,4S)-4-(4-bromo-2-nitroanilino)piperidin-3-ol;hydrochloride
CID 131729090
3-[(4-bromo-2-nitrophenoxy)methyl]piperidine
CID 55211128
4-bromo-2-nitro-N-(1-piperidin-3-ylethyl)aniline
CID 62047256
N-(3-bromoquinolin-8-yl)-2-piperidin-3-ylacetamide
CID 116784337
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide (CID 62674890) is N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide is O=C(CC1CCCNC1)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide?
The InChIKey is JIXBNRMLCHICSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-10-3-4-11(12(7-10)17(19)20)16-13(18)6-9-2-1-5-15-8-9/h3-4,7,9,15H,1-2,5-6,8H2,(H,16,18).
What are the key properties of N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide?
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide has a molecular weight of 342.19 g/mol, XLogP of 2.69, 4 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)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62674890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).