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

C20H27N3O3 — CID 55370291

IUPACN-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N(C)CCC#N)cc1
InChIInChI=1S/C20H27N3O3/c1-15-6-4-7-16(2)23(15)19(24)14-26-18-10-8-17(9-11-18)20(25)22(3)13-5-12-21/h8-11,15-16H,4-7,13-14H2,1-3H3
InChIKeyPTNFMYAYPMYDFS-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.84
Rot. Bonds6

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

N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide (PubChem CID 55370291) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
PubChem CID55370291
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N(C)CCC#N)cc1
InChIInChI=1S/C20H27N3O3/c1-15-6-4-7-16(2)23(15)19(24)14-26-18-10-8-17(9-11-18)20(25)22(3)13-5-12-21/h8-11,15-16H,4-7,13-14H2,1-3H3
InChIKeyPTNFMYAYPMYDFS-UHFFFAOYSA-N
XLogP2.84
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227757
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119441548
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
N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide
CID 8778883
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565
N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 60575237
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(piperazine-1-carbonyl)phenoxy]ethanone;hydrochloride
CID 119400512
2-[4-(4-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119373285
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
CID 119560215

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide (CID 55370291) is N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)N(C)CCC#N)cc1.
What is the InChIKey of N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide?
The InChIKey is PTNFMYAYPMYDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-6-4-7-16(2)23(15)19(24)14-26-18-10-8-17(9-11-18)20(25)22(3)13-5-12-21/h8-11,15-16H,4-7,13-14H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide?
N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide has a molecular weight of 357.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide is sourced from PubChem (CID 55370291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).