N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride

C20H25ClN4O3 — CID 154894928

About N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride (PubChem CID 154894928) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride
• PubChem CID: 154894928
• Molecular Formula: C20H25ClN4O3
• Molecular Weight: 404.90 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride
• SMILES: CO[C@H]1[C@H](NC(=O)Cn2cccnc2=O)c2ccccc2C12CCNCC2.Cl
• InChI: InChI=1S/C20H24N4O3.ClH/c1-27-18-17(23-16(25)13-24-12-4-9-22-19(24)26)14-5-2-3-6-15(14)20(18)7-10-21-11-8-20;/h2-6,9,12,17-18,21H,7-8,10-11,13H2,1H3,(H,23,25);1H/t17-,18+;/m1./s1
• InChIKey: VYGQWIIYMBCHAG-URBRKQAFSA-N
• XLogP: 1.17
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.90
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride?

The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride (CID 154894928) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride.

What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride?

The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride is CO[C@H]1[C@H](NC(=O)Cn2cccnc2=O)c2ccccc2C12CCNCC2.Cl.

What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride?

The InChIKey is VYGQWIIYMBCHAG-URBRKQAFSA-N. The full InChI is InChI=1S/C20H24N4O3.ClH/c1-27-18-17(23-16(25)13-24-12-4-9-22-19(24)26)14-5-2-3-6-15(14)20(18)7-10-21-11-8-20;/h2-6,9,12,17-18,21H,7-8,10-11,13H2,1H3,(H,23,25);1H/t17-,18+;/m1./s1.

What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride?

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 154894928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).