9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H27N3O2 — CID 20537385

IUPAC9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)C(C)NC1=O
InChIInChI=1S/C20H27N3O2/c1-14-19(24)22-15(2)20(25-14)8-11-23(12-9-20)10-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21H,7-12H2,1-2H3,(H,22,24)
InChIKeyQALJBWQIIRWORJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.47
Rot. Bonds3

About 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20537385) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20537385
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)C(C)NC1=O
InChIInChI=1S/C20H27N3O2/c1-14-19(24)22-15(2)20(25-14)8-11-23(12-9-20)10-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21H,7-12H2,1-2H3,(H,22,24)
InChIKeyQALJBWQIIRWORJ-UHFFFAOYSA-N
XLogP2.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016630
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 20537388
1'-[2-(1H-indol-3-yl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 142706537
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176503269
1-(1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-6-yl)-3-(1H-indol-3-yl)propan-1-one
CID 142710598
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20537385) is 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)C(C)NC1=O.
What is the InChIKey of 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QALJBWQIIRWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-19(24)22-15(2)20(25-14)8-11-23(12-9-20)10-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21H,7-12H2,1-2H3,(H,22,24).
What are the key properties of 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 341.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20537385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).