4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide

C16H23BrN2O — CID 115769516

IUPAC4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCc1cc(C(=O)NCCCN2CCCCC2)ccc1Br
InChIInChI=1S/C16H23BrN2O/c1-13-12-14(6-7-15(13)17)16(20)18-8-5-11-19-9-3-2-4-10-19/h6-7,12H,2-5,8-11H2,1H3,(H,18,20)
InChIKeyVMUQWYXJSMYVBS-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.36
Rot. Bonds5

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

4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 115769516) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID115769516
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCc1cc(C(=O)NCCCN2CCCCC2)ccc1Br
InChIInChI=1S/C16H23BrN2O/c1-13-12-14(6-7-15(13)17)16(20)18-8-5-11-19-9-3-2-4-10-19/h6-7,12H,2-5,8-11H2,1H3,(H,18,20)
InChIKeyVMUQWYXJSMYVBS-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.36
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

4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
4-bromo-3-methyl-N-pent-4-ynylbenzamide
CID 103855215
1-[3-(azepan-1-yl)propyl]-3-(4-bromo-3-methylphenyl)thiourea
CID 100616502
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
CID 11702224

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide (CID 115769516) is 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide is Cc1cc(C(=O)NCCCN2CCCCC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is VMUQWYXJSMYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-13-12-14(6-7-15(13)17)16(20)18-8-5-11-19-9-3-2-4-10-19/h6-7,12H,2-5,8-11H2,1H3,(H,18,20).
What are the key properties of 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide?
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 115769516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).