1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one

C23H22N2O3 — CID 72858904

IUPAC1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cc2cc(C(=O)N3CCC4(CC3)C(=O)N(C)c3ccccc34)ccc2o1
InChIInChI=1S/C23H22N2O3/c1-15-13-17-14-16(7-8-20(17)28-15)21(26)25-11-9-23(10-12-25)18-5-3-4-6-19(18)24(2)22(23)27/h3-8,13-14H,9-12H2,1-2H3
InChIKeyRBZOMBKBDVLLMU-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.89
Rot. Bonds1

About 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one

1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 72858904) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID72858904
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cc2cc(C(=O)N3CCC4(CC3)C(=O)N(C)c3ccccc34)ccc2o1
InChIInChI=1S/C23H22N2O3/c1-15-13-17-14-16(7-8-20(17)28-15)21(26)25-11-9-23(10-12-25)18-5-3-4-6-19(18)24(2)22(23)27/h3-8,13-14H,9-12H2,1-2H3
InChIKeyRBZOMBKBDVLLMU-UHFFFAOYSA-N
XLogP3.89
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 72858904) is 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one is Cc1cc2cc(C(=O)N3CCC4(CC3)C(=O)N(C)c3ccccc34)ccc2o1.
What is the InChIKey of 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RBZOMBKBDVLLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15-13-17-14-16(7-8-20(17)28-15)21(26)25-11-9-23(10-12-25)18-5-3-4-6-19(18)24(2)22(23)27/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(2-methyl-1-benzofuran-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 72858904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).