5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide

C15H21BrN2O — CID 65311677

IUPAC5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCCC1CCCNC1
InChIInChI=1S/C15H21BrN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyMIKKNCQQRRNBBX-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.88
Rot. Bonds4

About 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide

5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 65311677) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID65311677
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCCC1CCCNC1
InChIInChI=1S/C15H21BrN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyMIKKNCQQRRNBBX-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
4-bromo-N-(2-piperidin-3-ylethyl)-2-propan-2-yloxybenzamide;hydrochloride
CID 119555844
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556141
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide (CID 65311677) is 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide is Cc1ccc(Br)cc1C(=O)NCCC1CCCNC1.
What is the InChIKey of 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is MIKKNCQQRRNBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide?
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 325.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 65311677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).