N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide

C22H28N6O3 — CID 91947036

IUPACN,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide
SMILESCN(C)C(=O)COc1cc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)nn1C
InChIInChI=1S/C22H28N6O3/c1-25(2)19(29)14-31-20-12-17(24-27(20)4)22(30)28-11-7-8-15(13-28)21-23-16-9-5-6-10-18(16)26(21)3/h5-6,9-10,12,15H,7-8,11,13-14H2,1-4H3
InChIKeyXNZJASHLSLLRMK-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.79
Rot. Bonds5

About N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide

N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide (PubChem CID 91947036) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide
PubChem CID91947036
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide
SMILESCN(C)C(=O)COc1cc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)nn1C
InChIInChI=1S/C22H28N6O3/c1-25(2)19(29)14-31-20-12-17(24-27(20)4)22(30)28-11-7-8-15(13-28)21-23-16-9-5-6-10-18(16)26(21)3/h5-6,9-10,12,15H,7-8,11,13-14H2,1-4H3
InChIKeyXNZJASHLSLLRMK-UHFFFAOYSA-N
XLogP1.79
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide
CID 91946801
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947166
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947263
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92628235
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide?
The IUPAC name of N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide (CID 91947036) is N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide?
The canonical SMILES for N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide is CN(C)C(=O)COc1cc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)nn1C.
What is the InChIKey of N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide?
The InChIKey is XNZJASHLSLLRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-25(2)19(29)14-31-20-12-17(24-27(20)4)22(30)28-11-7-8-15(13-28)21-23-16-9-5-6-10-18(16)26(21)3/h5-6,9-10,12,15H,7-8,11,13-14H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide?
N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide has a molecular weight of 424.51 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide is sourced from PubChem (CID 91947036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).