2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione

C26H29N5O2 — CID 86766523

About 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione

2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione (PubChem CID 86766523) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

• Compound Name: 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione
• PubChem CID: 86766523
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione
• SMILES: CC1C(=O)NC(=O)C12Cc1cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc1C2
• InChI: InChI=1S/C26H29N5O2/c1-17-24(32)29-25(33)26(17)12-20-10-19-2-3-22(28-23(19)11-21(20)13-26)15-30-7-4-18(5-8-30)14-31-9-6-27-16-31/h2-3,6,9-11,16-18H,4-5,7-8,12-15H2,1H3,(H,29,32,33)
• InChIKey: MRLCCWVCTWOEIB-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione?

The IUPAC name of 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione (CID 86766523) is 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione.

What is the SMILES notation for 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione?

The canonical SMILES for 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione is CC1C(=O)NC(=O)C12Cc1cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc1C2.

What is the InChIKey of 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione?

The InChIKey is MRLCCWVCTWOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-17-24(32)29-25(33)26(17)12-20-10-19-2-3-22(28-23(19)11-21(20)13-26)15-30-7-4-18(5-8-30)14-31-9-6-27-16-31/h2-3,6,9-11,16-18H,4-5,7-8,12-15H2,1H3,(H,29,32,33).

What are the key properties of 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione?

2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione has a molecular weight of 443.55 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 86766523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).