1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone

C25H31N5O2 — CID 97376073

About 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone (PubChem CID 97376073) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
• PubChem CID: 97376073
• Molecular Formula: C25H31N5O2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.25
• IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
• SMILES: CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4cnccn4)CC3)c3ccccc32)CC1
• InChI: InChI=1S/C25H31N5O2/c1-28-12-14-29(15-13-28)23(31)16-19-17-25(21-5-3-2-4-20(19)21)6-10-30(11-7-25)24(32)22-18-26-8-9-27-22/h2-5,8-9,18-19H,6-7,10-17H2,1H3/t19-/m0/s1
• InChIKey: WTRKDCDMPJKXRO-IBGZPJMESA-N
• XLogP: 2.30
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?

The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone (CID 97376073) is 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone.

What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?

The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone is CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4cnccn4)CC3)c3ccccc32)CC1.

What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?

The InChIKey is WTRKDCDMPJKXRO-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31N5O2/c1-28-12-14-29(15-13-28)23(31)16-19-17-25(21-5-3-2-4-20(19)21)6-10-30(11-7-25)24(32)22-18-26-8-9-27-22/h2-5,8-9,18-19H,6-7,10-17H2,1H3/t19-/m0/s1.

What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone?

1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 433.56 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 97376073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).