1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C21H28N2O4 — CID 91475727

IUPAC1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)CN1C(=O)C2(OCCCO2)c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H28N2O4/c1-15(2)14-23-18-8-7-16(19(24)22-9-4-3-5-10-22)13-17(18)21(20(23)25)26-11-6-12-27-21/h7-8,13,15H,3-6,9-12,14H2,1-2H3
InChIKeyDOKXMUISBONPGL-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.90
Rot. Bonds3

About 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 91475727) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID91475727
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)CN1C(=O)C2(OCCCO2)c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H28N2O4/c1-15(2)14-23-18-8-7-16(19(24)22-9-4-3-5-10-22)13-17(18)21(20(23)25)26-11-6-12-27-21/h7-8,13,15H,3-6,9-12,14H2,1-2H3
InChIKeyDOKXMUISBONPGL-UHFFFAOYSA-N
XLogP2.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 91475727) is 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is CC(C)CN1C(=O)C2(OCCCO2)c2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is DOKXMUISBONPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15(2)14-23-18-8-7-16(19(24)22-9-4-3-5-10-22)13-17(18)21(20(23)25)26-11-6-12-27-21/h7-8,13,15H,3-6,9-12,14H2,1-2H3.
What are the key properties of 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 372.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 91475727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).