2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

C28H29N3O5 — CID 42190855

About 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (PubChem CID 42190855) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
• PubChem CID: 42190855
• Molecular Formula: C28H29N3O5
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.21
• IUPAC Name: 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
• SMILES: COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)[C@H]1OC
• InChI: InChI=1S/C28H29N3O5/c1-35-22-10-6-4-8-20(22)26(33)30-24-19-7-3-5-9-21(19)28(25(24)36-2)13-15-31(16-14-28)27(34)18-11-12-23(32)29-17-18/h3-12,17,24-25H,13-16H2,1-2H3,(H,29,32)(H,30,33)/t24-,25+/m1/s1
• InChIKey: BWJXEKFDZRATIN-RPBOFIJWSA-N
• XLogP: 3.06
• TPSA: 100.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?

The IUPAC name of 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (CID 42190855) is 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

What is the SMILES notation for 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?

The canonical SMILES for 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)[C@H]1OC.

What is the InChIKey of 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?

The InChIKey is BWJXEKFDZRATIN-RPBOFIJWSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-35-22-10-6-4-8-20(22)26(33)30-24-19-7-3-5-9-21(19)28(25(24)36-2)13-15-31(16-14-28)27(34)18-11-12-23(32)29-17-18/h3-12,17,24-25H,13-16H2,1-2H3,(H,29,32)(H,30,33)/t24-,25+/m1/s1.

What are the key properties of 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?

2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide has a molecular weight of 487.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is sourced from PubChem (CID 42190855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).