1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one

C22H31FN2O5 — CID 138594803

IUPAC1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCOCCN1C(=O)C2(CCN(C(=O)C(C)(C)C)CC2)c2c(F)cc(OCCO)cc21
InChIInChI=1S/C22H31FN2O5/c1-21(2,3)19(27)24-7-5-22(6-8-24)18-16(23)13-15(30-12-10-26)14-17(18)25(20(22)28)9-11-29-4/h13-14,26H,5-12H2,1-4H3
InChIKeyAKAMQZHLYIRFIQ-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.10
Rot. Bonds6

About 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one

1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 138594803) has the molecular formula C22H31FN2O5 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID138594803
Molecular FormulaC22H31FN2O5
Molecular Weight422.50 g/mol
Exact Mass422.22
IUPAC Name1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCOCCN1C(=O)C2(CCN(C(=O)C(C)(C)C)CC2)c2c(F)cc(OCCO)cc21
InChIInChI=1S/C22H31FN2O5/c1-21(2,3)19(27)24-7-5-22(6-8-24)18-16(23)13-15(30-12-10-26)14-17(18)25(20(22)28)9-11-29-4/h13-14,26H,5-12H2,1-4H3
InChIKeyAKAMQZHLYIRFIQ-UHFFFAOYSA-N
XLogP2.10
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

6-[2-(Dimethylamino)ethoxy]-4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594164
4-Fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594166
4-Fluoro-6-(2-hydroxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594320
3-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-3-methyl-1H-indol-2-one
CID 154926523
3-ethyl-3-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indol-2-one
CID 154926540
1''-cyclooctylmethyl-1-cyclopropylmethyl-6-methoxyspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15982528
1''-cyclooctylmethyl-1-ethyl-6-methoxyspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 15983067
1''-cyclooctylmethyl-6-methoxy-1-methylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 44404684
US9926282, Example 265
CID 145995361
1'-[2-(4-Ethoxyphenyl)acetyl]-1-methyl-1,2-dihydrospiro[indole-3,4'-piperidin]-2-one
CID 91904585
1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
CID 134805066
(3R)-5-fluoro-3-hydroxy-3-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]indol-2-one
CID 135061860

Frequently Asked Questions

What is the IUPAC name of 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one (CID 138594803) is 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one is COCCN1C(=O)C2(CCN(C(=O)C(C)(C)C)CC2)c2c(F)cc(OCCO)cc21.
What is the InChIKey of 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is AKAMQZHLYIRFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O5/c1-21(2,3)19(27)24-7-5-22(6-8-24)18-16(23)13-15(30-12-10-26)14-17(18)25(20(22)28)9-11-29-4/h13-14,26H,5-12H2,1-4H3.
What are the key properties of 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one?
1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 422.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,2-dimethylpropanoyl)-4-fluoro-6-(2-hydroxyethoxy)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 138594803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).