N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide

C24H29BrN2O3 — CID 60575237

IUPACN-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
SMILESCc1cc(Br)ccc1N(C)C(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C24H29BrN2O3/c1-16-14-20(25)10-13-22(16)26(4)24(29)19-8-11-21(12-9-19)30-15-23(28)27-17(2)6-5-7-18(27)3/h8-14,17-18H,5-7,15H2,1-4H3
InChIKeyVFDBYJXMAOYOPR-UHFFFAOYSA-N
MW473.41 g/mol
LogP5.20
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide

N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide (PubChem CID 60575237) has the molecular formula C24H29BrN2O3 and a molecular weight of 473.41 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
PubChem CID60575237
Molecular FormulaC24H29BrN2O3
Molecular Weight473.41 g/mol
Exact Mass472.14
IUPAC NameN-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
SMILESCc1cc(Br)ccc1N(C)C(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C24H29BrN2O3/c1-16-14-20(25)10-13-22(16)26(4)24(29)19-8-11-21(12-9-19)30-15-23(28)27-17(2)6-5-7-18(27)3/h8-14,17-18H,5-7,15H2,1-4H3
InChIKeyVFDBYJXMAOYOPR-UHFFFAOYSA-N
XLogP5.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119441548
3-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227757
N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 55370291
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55378182
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902
methyl 3-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-4-methylbenzoate
CID 26198255
N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 120506249
methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(2-methyl-4-propoxyphenyl)benzamide
CID 60540539
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide (CID 60575237) is N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide is Cc1cc(Br)ccc1N(C)C(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide?
The InChIKey is VFDBYJXMAOYOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O3/c1-16-14-20(25)10-13-22(16)26(4)24(29)19-8-11-21(12-9-19)30-15-23(28)27-17(2)6-5-7-18(27)3/h8-14,17-18H,5-7,15H2,1-4H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide?
N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide has a molecular weight of 473.41 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide is sourced from PubChem (CID 60575237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).