2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide

C21H26N6O3 — CID 91946801

IUPAC2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)nn1C
InChIInChI=1S/C21H26N6O3/c1-25(2)18(28)13-30-19-11-17(24-26(19)3)21(29)27-10-6-7-14(12-27)20-22-15-8-4-5-9-16(15)23-20/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,22,23)
InChIKeyXZTHLTMBFUDTOJ-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.78
Rot. Bonds5

About 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide

2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide (PubChem CID 91946801) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide
PubChem CID91946801
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)nn1C
InChIInChI=1S/C21H26N6O3/c1-25(2)18(28)13-30-19-11-17(24-26(19)3)21(29)27-10-6-7-14(12-27)20-22-15-8-4-5-9-16(15)23-20/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,22,23)
InChIKeyXZTHLTMBFUDTOJ-UHFFFAOYSA-N
XLogP1.78
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide
CID 91947036
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
CID 91946817
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 70738252
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 42932459

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide (CID 91946801) is 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)nn1C.
What is the InChIKey of 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide?
The InChIKey is XZTHLTMBFUDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-25(2)18(28)13-30-19-11-17(24-26(19)3)21(29)27-10-6-7-14(12-27)20-22-15-8-4-5-9-16(15)23-20/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide?
2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide has a molecular weight of 410.48 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 91946801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).