1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one

C20H26N2O3 — CID 110156926

IUPAC1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C20H26N2O3/c23-18-6-3-13-25-20(18)9-11-22(12-10-20)19(24)8-7-15-14-21-17-5-2-1-4-16(15)17/h1-2,4-5,14,18,21,23H,3,6-13H2
InChIKeyOHYPTZUDQOYWBI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.63
Rot. Bonds3

About 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one (PubChem CID 110156926) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
PubChem CID110156926
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C20H26N2O3/c23-18-6-3-13-25-20(18)9-11-22(12-10-20)19(24)8-7-15-14-21-17-5-2-1-4-16(15)17/h1-2,4-5,14,18,21,23H,3,6-13H2
InChIKeyOHYPTZUDQOYWBI-UHFFFAOYSA-N
XLogP2.63
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97194736
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CID 97017418
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
3-hydroxy-1-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
CID 91912868
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
3-(1H-indol-3-yl)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97122997
4-(1H-indol-3-yl)-1-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]butan-1-one
CID 131679347

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one (CID 110156926) is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is OHYPTZUDQOYWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18-6-3-13-25-20(18)9-11-22(12-10-20)19(24)8-7-15-14-21-17-5-2-1-4-16(15)17/h1-2,4-5,14,18,21,23H,3,6-13H2.
What are the key properties of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one?
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 110156926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).