2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone

C18H23N2O4+ — CID 7392149

IUPAC2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)C[NH+]3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C18H22N2O4/c1-22-13-2-3-16-14(10-13)15(11-19-16)17(21)12-20-6-4-18(5-7-20)23-8-9-24-18/h2-3,10-11,19H,4-9,12H2,1H3/p+1
InChIKeySRIKKXNJXJQTPG-UHFFFAOYSA-O
MW331.39 g/mol
LogP0.78
Rot. Bonds4

About 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone

2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 7392149) has the molecular formula C18H23N2O4+ and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID7392149
Molecular FormulaC18H23N2O4+
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)C[NH+]3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C18H22N2O4/c1-22-13-2-3-16-14(10-13)15(11-19-16)17(21)12-20-6-4-18(5-7-20)23-8-9-24-18/h2-3,10-11,19H,4-9,12H2,1H3/p+1
InChIKeySRIKKXNJXJQTPG-UHFFFAOYSA-O
XLogP0.78
TPSA64.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 113208410
2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 103555921
1-(5-methoxy-1H-indol-3-yl)-2-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]ethanone
CID 6582366
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 929424
1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
CID 7561918
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone (CID 7392149) is 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is COc1ccc2[nH]cc(C(=O)C[NH+]3CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is SRIKKXNJXJQTPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O4/c1-22-13-2-3-16-14(10-13)15(11-19-16)17(21)12-20-6-4-18(5-7-20)23-8-9-24-18/h2-3,10-11,19H,4-9,12H2,1H3/p+1.
What are the key properties of 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 331.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 7392149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).