4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide

C14H19BrN2O — CID 120554553

IUPAC4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CCNCC1C
InChIInChI=1S/C14H19BrN2O/c1-9-7-11(15)3-4-12(9)14(18)17-13-5-6-16-8-10(13)2/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyBYBJEWUBDFMDJC-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.49
Rot. Bonds2

About 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide

4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120554553) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120554553
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CCNCC1C
InChIInChI=1S/C14H19BrN2O/c1-9-7-11(15)3-4-12(9)14(18)17-13-5-6-16-8-10(13)2/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyBYBJEWUBDFMDJC-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
4-methyl-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120557568
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
N-(3-methylpiperidin-4-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 120553539
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide (CID 120554553) is 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide is Cc1cc(Br)ccc1C(=O)NC1CCNCC1C.
What is the InChIKey of 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is BYBJEWUBDFMDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-7-11(15)3-4-12(9)14(18)17-13-5-6-16-8-10(13)2/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide?
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120554553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).