3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one

C21H24N2O5 — CID 135091727

About 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one

3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one (PubChem CID 135091727) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
• PubChem CID: 135091727
• Molecular Formula: C21H24N2O5
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.17
• IUPAC Name: 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
• SMILES: COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc[nH]c3=O)CC1)OCC2
• InChI: InChI=1S/C21H24N2O5/c1-26-17-12-14-5-11-28-21(16(14)13-18(17)27-2)6-9-23(10-7-21)20(25)15-4-3-8-22-19(15)24/h3-4,8,12-13H,5-7,9-11H2,1-2H3,(H,22,24)
• InChIKey: DNZWFFVXTLSVSK-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 80.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one?

The IUPAC name of 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one (CID 135091727) is 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one.

What is the SMILES notation for 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one?

The canonical SMILES for 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one is COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc[nH]c3=O)CC1)OCC2.

What is the InChIKey of 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one?

The InChIKey is DNZWFFVXTLSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-17-12-14-5-11-28-21(16(14)13-18(17)27-2)6-9-23(10-7-21)20(25)15-4-3-8-22-19(15)24/h3-4,8,12-13H,5-7,9-11H2,1-2H3,(H,22,24).

What are the key properties of 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one?

3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one has a molecular weight of 384.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 135091727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).