2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide

C15H22BrN3O — CID 79722366

IUPAC2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(Br)cc2N)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-7-19-8-5-12(6-9-19)18-15(20)13-4-3-11(16)10-14(13)17/h3-4,10,12H,2,5-9,17H2,1H3,(H,18,20)
InChIKeyRUJQYZYDTONOTO-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide

2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 79722366) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID79722366
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(Br)cc2N)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-7-19-8-5-12(6-9-19)18-15(20)13-4-3-11(16)10-14(13)17/h3-4,10,12H,2,5-9,17H2,1H3,(H,18,20)
InChIKeyRUJQYZYDTONOTO-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 79720090
4-amino-6-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 81240989
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
2-amino-4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 79706556
4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 25235995
2-amino-4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79713946
4-bromo-N-(1-methylpiperidin-4-yl)-2-sulfanylbenzamide
CID 107022653
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555
2-fluoro-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603316

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide (CID 79722366) is 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2ccc(Br)cc2N)CC1.
What is the InChIKey of 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is RUJQYZYDTONOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-7-19-8-5-12(6-9-19)18-15(20)13-4-3-11(16)10-14(13)17/h3-4,10,12H,2,5-9,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide?
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 340.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 79722366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).