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

C13H17BrN2O — CID 69307708

IUPAC4-bromo-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2cc(Br)ccc2C(N)=O)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-4-6-16(7-5-9)12-8-10(14)2-3-11(12)13(15)17/h2-3,8-9H,4-7H2,1H3,(H2,15,17)
InChIKeyLWHSFBJQNDZECJ-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.78
Rot. Bonds2

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

4-bromo-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 69307708) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-bromo-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID69307708
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name4-bromo-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2cc(Br)ccc2C(N)=O)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-4-6-16(7-5-9)12-8-10(14)2-3-11(12)13(15)17/h2-3,8-9H,4-7H2,1H3,(H2,15,17)
InChIKeyLWHSFBJQNDZECJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(4-methylpiperidin-1-yl)benzenecarbothioamide
CID 114902551
4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
CID 114905706
1-(5-bromo-2-carbamoylphenyl)-3-methylpiperidine-2-carboxylic acid
CID 107070367
2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride
CID 68683324
2-(3-amino-4-methylpiperidin-1-yl)-5-bromobenzamide
CID 114894017
4-bromo-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 141421891
1-[4-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966964
4-bromo-2-(4-propan-2-ylazepan-1-yl)benzenecarbothioamide
CID 114903271
4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)benzenecarbothioamide
CID 114903342
4-bromo-2-(4-tert-butylazepan-1-yl)benzenecarbothioamide
CID 114903272
2-(azocan-1-yl)-4-bromobenzenecarbothioamide
CID 114902730
4-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)benzenecarbothioamide
CID 102957989

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 4-bromo-2-(4-methylpiperidin-1-yl)benzamide (CID 69307708) is 4-bromo-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 4-bromo-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 4-bromo-2-(4-methylpiperidin-1-yl)benzamide is CC1CCN(c2cc(Br)ccc2C(N)=O)CC1.
What is the InChIKey of 4-bromo-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is LWHSFBJQNDZECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-4-6-16(7-5-9)12-8-10(14)2-3-11(12)13(15)17/h2-3,8-9H,4-7H2,1H3,(H2,15,17).
What are the key properties of 4-bromo-2-(4-methylpiperidin-1-yl)benzamide?
4-bromo-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 297.20 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 69307708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).