2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

C18H23N3O3S — CID 97203995

About 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97203995) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 97203995
• Molecular Formula: C18H23N3O3S
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.15
• IUPAC Name: 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
• SMILES: CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2scc3c2OCCO3)C1
• InChI: InChI=1S/C18H23N3O3S/c1-12(2)21-7-5-19-17(21)13-4-3-6-20(10-13)18(22)16-15-14(11-25-16)23-8-9-24-15/h5,7,11-13H,3-4,6,8-10H2,1-2H3/t13-/m1/s1
• InChIKey: RFJGVWNHEGMRHP-CYBMUJFWSA-N
• XLogP: 3.32
• TPSA: 56.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (CID 97203995) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2scc3c2OCCO3)C1.

What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is RFJGVWNHEGMRHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12(2)21-7-5-19-17(21)13-4-3-6-20(10-13)18(22)16-15-14(11-25-16)23-8-9-24-15/h5,7,11-13H,3-4,6,8-10H2,1-2H3/t13-/m1/s1.

What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 361.47 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97203995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).