1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide

C14H18BrN3O2 — CID 79719629

IUPAC1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H18BrN3O2/c1-17-13(19)12-4-2-3-7-18(12)14(20)10-6-5-9(15)8-11(10)16/h5-6,8,12H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyUQQYYMWAWKIHNJ-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide

1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide (PubChem CID 79719629) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
PubChem CID79719629
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H18BrN3O2/c1-17-13(19)12-4-2-3-7-18(12)14(20)10-6-5-9(15)8-11(10)16/h5-6,8,12H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyUQQYYMWAWKIHNJ-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
1-(2-amino-4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 79723645
1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 62815781
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 136524888
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-(2-bromo-5-sulfanylbenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 107026043
1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61106763
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide (CID 79719629) is 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1ccc(Br)cc1N.
What is the InChIKey of 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is UQQYYMWAWKIHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-17-13(19)12-4-2-3-7-18(12)14(20)10-6-5-9(15)8-11(10)16/h5-6,8,12H,2-4,7,16H2,1H3,(H,17,19).
What are the key properties of 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide?
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 79719629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).