3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide

C15H22BrN3O — CID 61140955

IUPAC3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)c(N)c1)N1CCCCC1
InChIInChI=1S/C15H22BrN3O/c1-11(19-7-3-2-4-8-19)10-18-15(20)12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20)
InChIKeyNDBVFXWEQCPPGT-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.64
Rot. Bonds4

About 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide

3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide (PubChem CID 61140955) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
PubChem CID61140955
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)c(N)c1)N1CCCCC1
InChIInChI=1S/C15H22BrN3O/c1-11(19-7-3-2-4-8-19)10-18-15(20)12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20)
InChIKeyNDBVFXWEQCPPGT-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'}

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Related Compounds

4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
CID 78975173
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 110301675

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide (CID 61140955) is 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide is CC(CNC(=O)c1ccc(Br)c(N)c1)N1CCCCC1.
What is the InChIKey of 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide?
The InChIKey is NDBVFXWEQCPPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11(19-7-3-2-4-8-19)10-18-15(20)12-5-6-13(16)14(17)9-12/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide?
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)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 3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 61140955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).