1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one

C19H19ClN2O — CID 86180111

IUPAC1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C19H19ClN2O/c20-15-6-7-17-16(12-15)19(18(23)21-17)8-10-22(11-9-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,23)
InChIKeyIHHAQFHLEXAYJI-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.83
Rot. Bonds2

About 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one

1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 86180111) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID86180111
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C19H19ClN2O/c20-15-6-7-17-16(12-15)19(18(23)21-17)8-10-22(11-9-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,23)
InChIKeyIHHAQFHLEXAYJI-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide
CID 169138122
4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile
CID 169137895
1'-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 133058584
5-chlorospiro[1H-indole-3,4'-oxane]-2-one
CID 106701967
3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 58017128
1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 74251453
5-chloro-1'-[2-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
5-chloro-1'-[2-[2-(2-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997807
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134808860
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one (CID 86180111) is 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccc(Cl)cc2C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is IHHAQFHLEXAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-15-6-7-17-16(12-15)19(18(23)21-17)8-10-22(11-9-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,23).
What are the key properties of 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one?
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 326.83 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 86180111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).