[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone

C19H19N3O3S — CID 126425803

IUPAC[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
SMILESO=C(c1scc2c1OCCO2)N1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O3S/c23-19(17-16-15(11-26-17)24-9-10-25-16)22-8-4-3-7-14(22)18-20-12-5-1-2-6-13(12)21-18/h1-2,5-6,11,14H,3-4,7-10H2,(H,20,21)/t14-/m0/s1
InChIKeyHQULUYVGZBJUHL-AWEZNQCLSA-N
MW369.45 g/mol
LogP3.76
Rot. Bonds2

About [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone

[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone (PubChem CID 126425803) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
PubChem CID126425803
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
SMILESO=C(c1scc2c1OCCO2)N1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O3S/c23-19(17-16-15(11-26-17)24-9-10-25-16)22-8-4-3-7-14(22)18-20-12-5-1-2-6-13(12)21-18/h1-2,5-6,11,14H,3-4,7-10H2,(H,20,21)/t14-/m0/s1
InChIKeyHQULUYVGZBJUHL-AWEZNQCLSA-N
XLogP3.76
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
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[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
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1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
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4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
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N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
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[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 97149553
N-[4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 110219149
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone?
The IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone (CID 126425803) is [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone?
The canonical SMILES for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone is O=C(c1scc2c1OCCO2)N1CCCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone?
The InChIKey is HQULUYVGZBJUHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-19(17-16-15(11-26-17)24-9-10-25-16)22-8-4-3-7-14(22)18-20-12-5-1-2-6-13(12)21-18/h1-2,5-6,11,14H,3-4,7-10H2,(H,20,21)/t14-/m0/s1.
What are the key properties of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone?
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone has a molecular weight of 369.45 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone is sourced from PubChem (CID 126425803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).