1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C21H18N2O3 — CID 90618618

IUPAC1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c2ccccc21
InChIInChI=1S/C21H18N2O3/c24-19(15-7-6-14-8-10-22-18(14)12-15)23-11-3-9-21(13-23)17-5-2-1-4-16(17)20(25)26-21/h1-2,4-8,10,12,22H,3,9,11,13H2
InChIKeyMRPWKXMEOPJEFE-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.47
Rot. Bonds1

About 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 90618618) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID90618618
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c2ccccc21
InChIInChI=1S/C21H18N2O3/c24-19(15-7-6-14-8-10-22-18(14)12-15)23-11-3-9-21(13-23)17-5-2-1-4-16(17)20(25)26-21/h1-2,4-8,10,12,22H,3,9,11,13H2
InChIKeyMRPWKXMEOPJEFE-UHFFFAOYSA-N
XLogP3.47
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618707
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434
(3S)-1'-(2-methyl-1,3-benzothiazole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883017
N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 90618591
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618507
1'-(3-methylbut-2-enoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142469
1-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 121142455
1'-(1-methyl-6-oxopyridazine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 72719224
1'-(2-ethoxynaphthalene-1-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142457
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278

Frequently Asked Questions

What is the IUPAC name of 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 90618618) is 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c2ccccc21.
What is the InChIKey of 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is MRPWKXMEOPJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19(15-7-6-14-8-10-22-18(14)12-15)23-11-3-9-21(13-23)17-5-2-1-4-16(17)20(25)26-21/h1-2,4-8,10,12,22H,3,9,11,13H2.
What are the key properties of 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 346.39 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 90618618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).