1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C17H20N2O2 — CID 91767064

IUPAC1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C17H20N2O2/c20-16(14-3-4-15-13(11-14)5-8-18-15)19-9-10-21-17(12-19)6-1-2-7-17/h3-5,8,11,18H,1-2,6-7,9-10,12H2
InChIKeyWXEZIERMHBQFHP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.95
Rot. Bonds1

About 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 91767064) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID91767064
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C17H20N2O2/c20-16(14-3-4-15-13(11-14)5-8-18-15)19-9-10-21-17(12-19)6-1-2-7-17/h3-5,8,11,18H,1-2,6-7,9-10,12H2
InChIKeyWXEZIERMHBQFHP-UHFFFAOYSA-N
XLogP2.95
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
[(2S,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 124816715
[2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 131642167
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70752590
(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97452861
(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
CID 146098508
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
[7-(2-hydroxyethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(1H-indol-5-yl)methanone
CID 167945951
5-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)thiophene-2-carboxylic acid
CID 120695829
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid
CID 122056337
[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137335812

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 91767064) is 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCOC2(CCCC2)C1.
What is the InChIKey of 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is WXEZIERMHBQFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16(14-3-4-15-13(11-14)5-8-18-15)19-9-10-21-17(12-19)6-1-2-7-17/h3-5,8,11,18H,1-2,6-7,9-10,12H2.
What are the key properties of 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 91767064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).