1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one

C21H24N2O3 — CID 74251453

IUPAC1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1ccc(OCCO)cc1)CC2
InChIInChI=1S/C21H24N2O3/c24-13-14-26-17-7-5-16(6-8-17)15-23-11-9-21(10-12-23)18-3-1-2-4-19(18)22-20(21)25/h1-8,24H,9-15H2,(H,22,25)
InChIKeyRTPBARRFHTXSAI-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.54
Rot. Bonds5

About 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 74251453) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID74251453
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1ccc(OCCO)cc1)CC2
InChIInChI=1S/C21H24N2O3/c24-13-14-26-17-7-5-16(6-8-17)15-23-11-9-21(10-12-23)18-3-1-2-4-19(18)22-20(21)25/h1-8,24H,9-15H2,(H,22,25)
InChIKeyRTPBARRFHTXSAI-UHFFFAOYSA-N
XLogP2.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 86180111
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
1'-(thiophen-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155841078
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 26329598
1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 25119442

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 74251453) is 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccccc2C12CCN(Cc1ccc(OCCO)cc1)CC2.
What is the InChIKey of 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is RTPBARRFHTXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-13-14-26-17-7-5-16(6-8-17)15-23-11-9-21(10-12-23)18-3-1-2-4-19(18)22-20(21)25/h1-8,24H,9-15H2,(H,22,25).
What are the key properties of 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 74251453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).