3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide

C15H21BrN2O — CID 79036258

IUPAC3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NC1CCN(C)C(C)C1
InChIInChI=1S/C15H21BrN2O/c1-10-9-12(7-8-18(10)3)17-15(19)13-5-4-6-14(16)11(13)2/h4-6,10,12H,7-9H2,1-3H3,(H,17,19)
InChIKeyYIRVJFZQTAIXPX-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds2

About 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide

3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide (PubChem CID 79036258) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
PubChem CID79036258
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NC1CCN(C)C(C)C1
InChIInChI=1S/C15H21BrN2O/c1-10-9-12(7-8-18(10)3)17-15(19)13-5-4-6-14(16)11(13)2/h4-6,10,12H,7-9H2,1-3H3,(H,17,19)
InChIKeyYIRVJFZQTAIXPX-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767177
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide
CID 171661881
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868
3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
CID 79401552
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide?
The IUPAC name of 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide (CID 79036258) is 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide is Cc1c(Br)cccc1C(=O)NC1CCN(C)C(C)C1.
What is the InChIKey of 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide?
The InChIKey is YIRVJFZQTAIXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-9-12(7-8-18(10)3)17-15(19)13-5-4-6-14(16)11(13)2/h4-6,10,12H,7-9H2,1-3H3,(H,17,19).
What are the key properties of 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide?
3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 79036258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).