(5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone

C24H26N2O3 — CID 59740561

IUPAC(5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
SMILESCC(C)Oc1ccc2[nH]c(C(=O)N3CCC4(CC3)COc3ccccc34)cc2c1
InChIInChI=1S/C24H26N2O3/c1-16(2)29-18-7-8-20-17(13-18)14-21(25-20)23(27)26-11-9-24(10-12-26)15-28-22-6-4-3-5-19(22)24/h3-8,13-14,16,25H,9-12,15H2,1-2H3
InChIKeyPOEGDYPRAVMHRS-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.52
Rot. Bonds3

About (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone

(5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone (PubChem CID 59740561) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
PubChem CID59740561
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
SMILESCC(C)Oc1ccc2[nH]c(C(=O)N3CCC4(CC3)COc3ccccc34)cc2c1
InChIInChI=1S/C24H26N2O3/c1-16(2)29-18-7-8-20-17(13-18)14-21(25-20)23(27)26-11-9-24(10-12-26)15-28-22-6-4-3-5-19(22)24/h3-8,13-14,16,25H,9-12,15H2,1-2H3
InChIKeyPOEGDYPRAVMHRS-UHFFFAOYSA-N
XLogP4.52
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone (CID 59740561) is (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone is CC(C)Oc1ccc2[nH]c(C(=O)N3CCC4(CC3)COc3ccccc34)cc2c1.
What is the InChIKey of (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is POEGDYPRAVMHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16(2)29-18-7-8-20-17(13-18)14-21(25-20)23(27)26-11-9-24(10-12-26)15-28-22-6-4-3-5-19(22)24/h3-8,13-14,16,25H,9-12,15H2,1-2H3.
What are the key properties of (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone?
(5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 390.48 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 59740561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).