3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide

C15H20Br2N2O — CID 107980133

IUPAC3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H20Br2N2O/c16-13-9-12(10-14(17)11-13)15(20)18-5-4-8-19-6-2-1-3-7-19/h9-11H,1-8H2,(H,18,20)
InChIKeyCOEHUMXFPJYUAS-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.82
Rot. Bonds5

About 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide

3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 107980133) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID107980133
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H20Br2N2O/c16-13-9-12(10-14(17)11-13)15(20)18-5-4-8-19-6-2-1-3-7-19/h9-11H,1-8H2,(H,18,20)
InChIKeyCOEHUMXFPJYUAS-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 60735543
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
CID 110444718
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 113219048
3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176302
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide (CID 107980133) is 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is COEHUMXFPJYUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c16-13-9-12(10-14(17)11-13)15(20)18-5-4-8-19-6-2-1-3-7-19/h9-11H,1-8H2,(H,18,20).
What are the key properties of 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide?
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 404.15 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 107980133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).