N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide

C14H18BrN3O3 — CID 2959932

IUPACN-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H18BrN3O3/c1-10-4-6-17(7-5-10)9-14(19)16-12-3-2-11(15)8-13(12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,16,19)
InChIKeyFSRSBDFGQBERFO-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.03
Rot. Bonds4

About N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide

N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 2959932) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID2959932
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC NameN-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H18BrN3O3/c1-10-4-6-17(7-5-10)9-14(19)16-12-3-2-11(15)8-13(12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,16,19)
InChIKeyFSRSBDFGQBERFO-UHFFFAOYSA-N
XLogP3.03
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.03
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

N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 2960367
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
ethyl 1-[2-(4-chloro-2-nitroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931566
N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 62211932
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
2-[4-[(5-bromo-2-nitroanilino)methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 133368808
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890
N-(4-chloro-2-nitrophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019799
N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604592

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide (CID 2959932) is N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is FSRSBDFGQBERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-10-4-6-17(7-5-10)9-14(19)16-12-3-2-11(15)8-13(12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,16,19).
What are the key properties of N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 356.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 2959932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).