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

C20H28ClN3O2 — CID 20537388

IUPAC4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
SMILESCCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OCC1=O.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-2-23-15-20(25-14-19(23)24)8-11-22(12-9-20)10-7-16-13-21-18-6-4-3-5-17(16)18;/h3-6,13,21H,2,7-12,14-15H2,1H3;1H
InChIKeyMPNKKQTXCYZYBD-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.85
Rot. Bonds4

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

4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride (PubChem CID 20537388) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride.

Molecular Properties

Compound Name4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
PubChem CID20537388
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
SMILESCCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OCC1=O.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-2-23-15-20(25-14-19(23)24)8-11-22(12-9-20)10-7-16-13-21-18-6-4-3-5-17(16)18;/h3-6,13,21H,2,7-12,14-15H2,1H3;1H
InChIKeyMPNKKQTXCYZYBD-UHFFFAOYSA-N
XLogP2.85
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
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1'-[2-(1H-indol-3-yl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 142706537
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
9-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20537385
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
8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016630
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 123922862
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The IUPAC name of 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride (CID 20537388) is 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride.
What is the SMILES notation for 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The canonical SMILES for 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride is CCN1CC2(CCN(CCc3c[nH]c4ccccc34)CC2)OCC1=O.Cl.
What is the InChIKey of 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The InChIKey is MPNKKQTXCYZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.ClH/c1-2-23-15-20(25-14-19(23)24)8-11-22(12-9-20)10-7-16-13-21-18-6-4-3-5-17(16)18;/h3-6,13,21H,2,7-12,14-15H2,1H3;1H.
What are the key properties of 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride is sourced from PubChem (CID 20537388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).