1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C22H21ClN2O2 — CID 89214065

IUPAC1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESC=C(C1CNc2cc(Cl)ccc21)N1CCC2(CC1)OC(=O)c1ccccc12
InChIInChI=1S/C22H21ClN2O2/c1-14(18-13-24-20-12-15(23)6-7-16(18)20)25-10-8-22(9-11-25)19-5-3-2-4-17(19)21(26)27-22/h2-7,12,18,24H,1,8-11,13H2
InChIKeyZLIFZBKENRJZCC-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.52
Rot. Bonds2

About 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 89214065) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID89214065
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESC=C(C1CNc2cc(Cl)ccc21)N1CCC2(CC1)OC(=O)c1ccccc12
InChIInChI=1S/C22H21ClN2O2/c1-14(18-13-24-20-12-15(23)6-7-16(18)20)25-10-8-22(9-11-25)19-5-3-2-4-17(19)21(26)27-22/h2-7,12,18,24H,1,8-11,13H2
InChIKeyZLIFZBKENRJZCC-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 89214065) is 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is C=C(C1CNc2cc(Cl)ccc21)N1CCC2(CC1)OC(=O)c1ccccc12.
What is the InChIKey of 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is ZLIFZBKENRJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-14(18-13-24-20-12-15(23)6-7-16(18)20)25-10-8-22(9-11-25)19-5-3-2-4-17(19)21(26)27-22/h2-7,12,18,24H,1,8-11,13H2.
What are the key properties of 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 380.88 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 89214065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).