2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C20H26N2O3 — CID 97194736

IUPAC2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCO[C@@H]1CCCOC12CCN(C(=O)Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C20H26N2O3/c1-24-18-7-4-12-25-20(18)8-10-22(11-9-20)19(23)13-15-14-21-17-6-3-2-5-16(15)17/h2-3,5-6,14,18,21H,4,7-13H2,1H3/t18-/m1/s1
InChIKeyAPZBXQAEZAJVQY-GOSISDBHSA-N
MW342.44 g/mol
LogP2.90
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 97194736) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID97194736
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCO[C@@H]1CCCOC12CCN(C(=O)Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C20H26N2O3/c1-24-18-7-4-12-25-20(18)8-10-22(11-9-20)19(23)13-15-14-21-17-6-3-2-5-16(15)17/h2-3,5-6,14,18,21H,4,7-13H2,1H3/t18-/m1/s1
InChIKeyAPZBXQAEZAJVQY-GOSISDBHSA-N
XLogP2.90
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone with MolForge

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Related Compounds

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611350
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91918074
(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110159825
2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 110637911
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462407
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 97194736) is 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is CO[C@@H]1CCCOC12CCN(C(=O)Cc1c[nH]c3ccccc13)CC2.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is APZBXQAEZAJVQY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-18-7-4-12-25-20(18)8-10-22(11-9-20)19(23)13-15-14-21-17-6-3-2-5-16(15)17/h2-3,5-6,14,18,21H,4,7-13H2,1H3/t18-/m1/s1.
What are the key properties of 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 97194736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).