1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one

C19H24N2O4 — CID 4187230

IUPAC1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one
SMILESO=C1N(CN2CCOCC2)c2ccccc2C12OC1CCCCC1O2
InChIInChI=1S/C19H24N2O4/c22-18-19(24-16-7-3-4-8-17(16)25-19)14-5-1-2-6-15(14)21(18)13-20-9-11-23-12-10-20/h1-2,5-6,16-17H,3-4,7-13H2
InChIKeyOIDQFQKNUOKTBM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.83
Rot. Bonds2

About 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one

1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one (PubChem CID 4187230) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one
PubChem CID4187230
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one
SMILESO=C1N(CN2CCOCC2)c2ccccc2C12OC1CCCCC1O2
InChIInChI=1S/C19H24N2O4/c22-18-19(24-16-7-3-4-8-17(16)25-19)14-5-1-2-6-15(14)21(18)13-20-9-11-23-12-10-20/h1-2,5-6,16-17H,3-4,7-13H2
InChIKeyOIDQFQKNUOKTBM-UHFFFAOYSA-N
XLogP1.83
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-5-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 5036312
(2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 1273808
5-(hydroxymethyl)-1'-(morpholin-4-ylmethyl)-5-nitrospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 17370126
(2S,4R)-1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 7119312
1,1'''-bis[(3-methylpiperidin-1-yl)methyl]trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione
CID 3954470
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1419494
1'-[(4-benzhydrylpiperazin-1-yl)methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 2001450
1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750664
(3R)-3-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425681
3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 3841448
(3S)-3-[2-(3-aminophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1425627
3-hydroxy-1-(morpholin-4-ylmethyl)-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3805745

Frequently Asked Questions

What is the IUPAC name of 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one?
The IUPAC name of 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one (CID 4187230) is 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one is O=C1N(CN2CCOCC2)c2ccccc2C12OC1CCCCC1O2.
What is the InChIKey of 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one?
The InChIKey is OIDQFQKNUOKTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-18-19(24-16-7-3-4-8-17(16)25-19)14-5-1-2-6-15(14)21(18)13-20-9-11-23-12-10-20/h1-2,5-6,16-17H,3-4,7-13H2.
What are the key properties of 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one?
1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one has a molecular weight of 344.41 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(morpholin-4-ylmethyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-indole]-2'-one is sourced from PubChem (CID 4187230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).