4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide

C22H33N3O3 — CID 119441548

IUPAC4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N(C)C2CCNCC2)cc1
InChIInChI=1S/C22H33N3O3/c1-16-5-4-6-17(2)25(16)21(26)15-28-20-9-7-18(8-10-20)22(27)24(3)19-11-13-23-14-12-19/h7-10,16-17,19,23H,4-6,11-15H2,1-3H3
InChIKeyMXINSGIUKVTJIF-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.68
Rot. Bonds5

About 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide (PubChem CID 119441548) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide
PubChem CID119441548
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N(C)C2CCNCC2)cc1
InChIInChI=1S/C22H33N3O3/c1-16-5-4-6-17(2)25(16)21(26)15-28-20-9-7-18(8-10-20)22(27)24(3)19-11-13-23-14-12-19/h7-10,16-17,19,23H,4-6,11-15H2,1-3H3
InChIKeyMXINSGIUKVTJIF-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-[4-(piperazine-1-carbonyl)phenoxy]ethanone;hydrochloride
CID 119400512
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
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
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
N-(4-bromo-2-methylphenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 60575237
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441295
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
[2-(cycloheptylamino)-2-oxoethyl] 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 41175982

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide (CID 119441548) is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)N(C)C2CCNCC2)cc1.
What is the InChIKey of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is MXINSGIUKVTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16-5-4-6-17(2)25(16)21(26)15-28-20-9-7-18(8-10-20)22(27)24(3)19-11-13-23-14-12-19/h7-10,16-17,19,23H,4-6,11-15H2,1-3H3.
What are the key properties of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide?
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 387.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119441548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).