1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one

C26H24N2O3S — CID 144663090

IUPAC1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one
SMILESO=C1N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc2C12COSO2
InChIInChI=1S/C26H24N2O3S/c29-25-26(16-30-32-31-26)21-9-1-2-10-22(21)28(25)19-11-13-27(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)24(17)18/h1-10,19,23H,11-16H2
InChIKeyVISXBLCQFDIVSU-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.75
Rot. Bonds2

About 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one

1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one (PubChem CID 144663090) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one
PubChem CID144663090
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Name1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one
SMILESO=C1N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc2C12COSO2
InChIInChI=1S/C26H24N2O3S/c29-25-26(16-30-32-31-26)21-9-1-2-10-22(21)28(25)19-11-13-27(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)24(17)18/h1-10,19,23H,11-16H2
InChIKeyVISXBLCQFDIVSU-UHFFFAOYSA-N
XLogP4.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one?
The IUPAC name of 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one (CID 144663090) is 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one.
What is the SMILES notation for 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one?
The canonical SMILES for 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one is O=C1N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc2C12COSO2.
What is the InChIKey of 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one?
The InChIKey is VISXBLCQFDIVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c29-25-26(16-30-32-31-26)21-9-1-2-10-22(21)28(25)19-11-13-27(14-12-19)23-15-18-7-3-5-17-6-4-8-20(23)24(17)18/h1-10,19,23H,11-16H2.
What are the key properties of 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one?
1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one has a molecular weight of 444.56 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one is sourced from PubChem (CID 144663090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).