N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide

C13H16BrN3O3 — CID 2946043

IUPACN-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H16BrN3O3/c14-11-8-10(17(19)20)4-5-12(11)15-13(18)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,18)
InChIKeyRLYLNZJHVCZURH-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.78
Rot. Bonds4

About N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide

N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide (PubChem CID 2946043) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
PubChem CID2946043
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H16BrN3O3/c14-11-8-10(17(19)20)4-5-12(11)15-13(18)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,18)
InChIKeyRLYLNZJHVCZURH-UHFFFAOYSA-N
XLogP2.78
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
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

2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 5038934
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 2943753
N-(2-bromo-4-nitrophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069844
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 33356171
N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
N-(2-chloro-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 2892723
2-(1,4-diazepan-1-yl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744735
N-(2-bromo-4-nitrophenyl)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]acetamide
CID 55838364

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide (CID 2946043) is N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is RLYLNZJHVCZURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-11-8-10(17(19)20)4-5-12(11)15-13(18)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,18).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide?
N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 342.19 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2946043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).