3-bromo-4-(2-methylpiperidin-1-yl)benzamide

C13H17BrN2O — CID 169336360

IUPAC3-bromo-4-(2-methylpiperidin-1-yl)benzamide
SMILESCC1CCCCN1c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C13H17BrN2O/c1-9-4-2-3-7-16(9)12-6-5-10(13(15)17)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H2,15,17)
InChIKeyFGMXUHLFGXTQFS-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.93
Rot. Bonds2

About 3-bromo-4-(2-methylpiperidin-1-yl)benzamide

3-bromo-4-(2-methylpiperidin-1-yl)benzamide (PubChem CID 169336360) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-bromo-4-(2-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methylpiperidin-1-yl)benzamide
PubChem CID169336360
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-bromo-4-(2-methylpiperidin-1-yl)benzamide
SMILESCC1CCCCN1c1ccc(C(N)=O)cc1Br
InChIInChI=1S/C13H17BrN2O/c1-9-4-2-3-7-16(9)12-6-5-10(13(15)17)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H2,15,17)
InChIKeyFGMXUHLFGXTQFS-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(2-methylazepan-1-yl)phenyl]methanamine
CID 82793538
1-[3-bromo-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 62909487
4-(3-amino-4-methylpiperidin-1-yl)-3-bromobenzamide
CID 82809851
4-[(2S)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid;4-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid
CID 87122189
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-bromophenyl]ethanone
CID 102726722
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676104
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063
3-bromo-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 82809979
1-[4-bromo-2-(2-methylazepan-1-yl)phenyl]ethanone
CID 82967461
3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
CID 43658120
6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 140650305
2-amino-3-(2-methylazepan-1-yl)benzamide
CID 113333036

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methylpiperidin-1-yl)benzamide?
The IUPAC name of 3-bromo-4-(2-methylpiperidin-1-yl)benzamide (CID 169336360) is 3-bromo-4-(2-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 3-bromo-4-(2-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 3-bromo-4-(2-methylpiperidin-1-yl)benzamide is CC1CCCCN1c1ccc(C(N)=O)cc1Br.
What is the InChIKey of 3-bromo-4-(2-methylpiperidin-1-yl)benzamide?
The InChIKey is FGMXUHLFGXTQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-4-2-3-7-16(9)12-6-5-10(13(15)17)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H2,15,17).
What are the key properties of 3-bromo-4-(2-methylpiperidin-1-yl)benzamide?
3-bromo-4-(2-methylpiperidin-1-yl)benzamide has a molecular weight of 297.20 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 169336360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).