5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide

C14H19BrN2O — CID 65306983

IUPAC5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C14H19BrN2O/c1-10-3-4-11(15)9-13(10)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)
InChIKeyGPMIPGIMYGSTNN-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds2

About 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide

5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 65306983) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID65306983
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCN(C)CC1
InChIInChI=1S/C14H19BrN2O/c1-10-3-4-11(15)9-13(10)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)
InChIKeyGPMIPGIMYGSTNN-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65309674
4-bromo-N-(1-methylpiperidin-4-yl)-2-sulfanylbenzamide
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5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzamide
CID 65309683
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 65306983) is 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide is Cc1ccc(Br)cc1C(=O)NC1CCN(C)CC1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is GPMIPGIMYGSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-3-4-11(15)9-13(10)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide?
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 65306983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).