1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione

C35H44N4O6 — CID 3954470

IUPAC—
SMILESCC1CCCN(CN2C(=O)C3(OCC4(CO3)COC3(OC4)C(=O)N(CN4CCCC(C)C4)c4ccccc43)c3ccccc32)C1
InChIInChI=1S/C35H44N4O6/c1-25-9-7-15-36(17-25)23-38-29-13-5-3-11-27(29)34(31(38)40)42-19-33(20-43-34)21-44-35(45-22-33)28-12-4-6-14-30(28)39(32(35)41)24-37-16-8-10-26(2)18-37/h3-6,11-14,25-26H,7-10,15-24H2,1-2H3
InChIKeyARTZRUDETGRHGI-UHFFFAOYSA-N
MW616.76 g/mol
LogP3.84
Rot. Bonds4

About 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione

1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione (PubChem CID 3954470) has the molecular formula C35H44N4O6 and a molecular weight of 616.76 g/mol.

Molecular Properties

Compound Name1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione
PubChem CID3954470
Molecular FormulaC35H44N4O6
Molecular Weight616.76 g/mol
Exact Mass616.33
IUPAC Name—
SMILESCC1CCCN(CN2C(=O)C3(OCC4(CO3)COC3(OC4)C(=O)N(CN4CCCC(C)C4)c4ccccc43)c3ccccc32)C1
InChIInChI=1S/C35H44N4O6/c1-25-9-7-15-36(17-25)23-38-29-13-5-3-11-27(29)34(31(38)40)42-19-33(20-43-34)21-44-35(45-22-33)28-12-4-6-14-30(28)39(32(35)41)24-37-16-8-10-26(2)18-37/h3-6,11-14,25-26H,7-10,15-24H2,1-2H3
InChIKeyARTZRUDETGRHGI-UHFFFAOYSA-N
XLogP3.84
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione?
The IUPAC name of 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione (CID 3954470) is not available.
What is the SMILES notation for 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione?
The canonical SMILES for 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione is CC1CCCN(CN2C(=O)C3(OCC4(CO3)COC3(OC4)C(=O)N(CN4CCCC(C)C4)c4ccccc43)c3ccccc32)C1.
What is the InChIKey of 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione?
The InChIKey is ARTZRUDETGRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4O6/c1-25-9-7-15-36(17-25)23-38-29-13-5-3-11-27(29)34(31(38)40)42-19-33(20-43-34)21-44-35(45-22-33)28-12-4-6-14-30(28)39(32(35)41)24-37-16-8-10-26(2)18-37/h3-6,11-14,25-26H,7-10,15-24H2,1-2H3.
What are the key properties of 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione?
1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione has a molecular weight of 616.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione is sourced from PubChem (CID 3954470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).