8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H25N3O2 — CID 13016630

IUPAC8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC(c2ccccc2)C2(CCN(CCc3c[nH]c4ccccc34)CC2)O1
InChIInChI=1S/C23H25N3O2/c27-22-25-21(17-6-2-1-3-7-17)23(28-22)11-14-26(15-12-23)13-10-18-16-24-20-9-5-4-8-19(18)20/h1-9,16,21,24H,10-15H2,(H,25,27)
InChIKeyXBZUMDZIFMNMLE-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.03
Rot. Bonds4

About 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 13016630) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID13016630
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC(c2ccccc2)C2(CCN(CCc3c[nH]c4ccccc34)CC2)O1
InChIInChI=1S/C23H25N3O2/c27-22-25-21(17-6-2-1-3-7-17)23(28-22)11-14-26(15-12-23)13-10-18-16-24-20-9-5-4-8-19(18)20/h1-9,16,21,24H,10-15H2,(H,25,27)
InChIKeyXBZUMDZIFMNMLE-UHFFFAOYSA-N
XLogP4.03
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20537385
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CID 117007752
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1'-[2-(1H-indol-3-yl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 142706537
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
(6S)-6-benzyl-4-[2-(1H-indol-3-yl)ethyl]piperazin-2-one
CID 137340660
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 20537388
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
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

Frequently Asked Questions

What is the IUPAC name of 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 13016630) is 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NC(c2ccccc2)C2(CCN(CCc3c[nH]c4ccccc34)CC2)O1.
What is the InChIKey of 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XBZUMDZIFMNMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-25-21(17-6-2-1-3-7-17)23(28-22)11-14-26(15-12-23)13-10-18-16-24-20-9-5-4-8-19(18)20/h1-9,16,21,24H,10-15H2,(H,25,27).
What are the key properties of 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 13016630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).