(4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

C22H22N2O2 — CID 167825931

IUPAC(4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESCc1cccc2oc(C(=O)N3CCC4(CC3)CNc3ccccc34)cc12
InChIInChI=1S/C22H22N2O2/c1-15-5-4-8-19-16(15)13-20(26-19)21(25)24-11-9-22(10-12-24)14-23-18-7-3-2-6-17(18)22/h2-8,13,23H,9-12,14H2,1H3
InChIKeyUDSDSNSACAJXIX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.34
Rot. Bonds1

About (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

(4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (PubChem CID 167825931) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
PubChem CID167825931
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESCc1cccc2oc(C(=O)N3CCC4(CC3)CNc3ccccc34)cc12
InChIInChI=1S/C22H22N2O2/c1-15-5-4-8-19-16(15)13-20(26-19)21(25)24-11-9-22(10-12-24)14-23-18-7-3-2-6-17(18)22/h2-8,13,23H,9-12,14H2,1H3
InChIKeyUDSDSNSACAJXIX-UHFFFAOYSA-N
XLogP4.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone with MolForge

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Related Compounds

ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
CID 167830899
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
(4-methyl-1-benzofuran-2-yl)-[4-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 166256816
2-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 56753711
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
6-ethyl-5-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 162629513
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
CID 99931971
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride
CID 163334344

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (CID 167825931) is (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is Cc1cccc2oc(C(=O)N3CCC4(CC3)CNc3ccccc34)cc12.
What is the InChIKey of (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is UDSDSNSACAJXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-5-4-8-19-16(15)13-20(26-19)21(25)24-11-9-22(10-12-24)14-23-18-7-3-2-6-17(18)22/h2-8,13,23H,9-12,14H2,1H3.
What are the key properties of (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
(4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 167825931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).