1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone

C20H26N2O3 — CID 119036834

IUPAC1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CC(C)OC3(CCOCC3)C2)c2ccccc12
InChIInChI=1S/C20H26N2O3/c1-15-11-21(18-6-4-3-5-17(15)18)13-19(23)22-12-16(2)25-20(14-22)7-9-24-10-8-20/h3-6,11,16H,7-10,12-14H2,1-2H3
InChIKeyDWRAYKLZLONTQR-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.75
Rot. Bonds2

About 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone

1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone (PubChem CID 119036834) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone
PubChem CID119036834
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CC(C)OC3(CCOCC3)C2)c2ccccc12
InChIInChI=1S/C20H26N2O3/c1-15-11-21(18-6-4-3-5-17(15)18)13-19(23)22-12-16(2)25-20(14-22)7-9-24-10-8-20/h3-6,11,16H,7-10,12-14H2,1-2H3
InChIKeyDWRAYKLZLONTQR-UHFFFAOYSA-N
XLogP2.75
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 139005823
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
CID 124698148
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
CID 110910723
1-[1-[2-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-oxoethyl]indol-3-yl]butan-1-one
CID 154811502
2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95734212
1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
CID 91897411
4-[3-[(5R,7R)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-3-oxopropyl]benzoic acid
CID 129470656
1-[2-[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-oxoethyl]quinolin-4-one
CID 166314889
2-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetonitrile
CID 26918763
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
CID 95340151
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 20902680

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone (CID 119036834) is 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone is Cc1cn(CC(=O)N2CC(C)OC3(CCOCC3)C2)c2ccccc12.
What is the InChIKey of 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone?
The InChIKey is DWRAYKLZLONTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-11-21(18-6-4-3-5-17(15)18)13-19(23)22-12-16(2)25-20(14-22)7-9-24-10-8-20/h3-6,11,16H,7-10,12-14H2,1-2H3.
What are the key properties of 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone?
1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone is sourced from PubChem (CID 119036834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).