6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C23H31N3O3 — CID 146287149

About 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287149) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• PubChem CID: 146287149
• Molecular Formula: C23H31N3O3
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.24
• IUPAC Name: 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• SMILES: Cc1cc(OC2CCN(C(C)c3ccc4c(n3)OCCO4)CC2)cc(C(C)C)n1
• InChI: InChI=1S/C23H31N3O3/c1-15(2)21-14-19(13-16(3)24-21)29-18-7-9-26(10-8-18)17(4)20-5-6-22-23(25-20)28-12-11-27-22/h5-6,13-15,17-18H,7-12H2,1-4H3
• InChIKey: YLGJCVINOZVPCR-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 56.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The IUPAC name of 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287149) is 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

What is the SMILES notation for 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The canonical SMILES for 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(OC2CCN(C(C)c3ccc4c(n3)OCCO4)CC2)cc(C(C)C)n1.

What is the InChIKey of 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The InChIKey is YLGJCVINOZVPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15(2)21-14-19(13-16(3)24-21)29-18-7-9-26(10-8-18)17(4)20-5-6-22-23(25-20)28-12-11-27-22/h5-6,13-15,17-18H,7-12H2,1-4H3.

What are the key properties of 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 397.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146287149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).