1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C19H24N2O3 — CID 91917986

IUPAC1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3c[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C19H24N2O3/c1-23-14-6-11-24-19(12-14)7-9-21(10-8-19)18(22)16-13-20-17-5-3-2-4-15(16)17/h2-5,13-14,20H,6-12H2,1H3
InChIKeyXQTGKHCKFOVOGX-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.97
Rot. Bonds2

About 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91917986) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91917986
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3c[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C19H24N2O3/c1-23-14-6-11-24-19(12-14)7-9-21(10-8-19)18(22)16-13-20-17-5-3-2-4-15(16)17/h2-5,13-14,20H,6-12H2,1H3
InChIKeyXQTGKHCKFOVOGX-UHFFFAOYSA-N
XLogP2.97
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917964
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91918074
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917956
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
(2-fluorophenyl)-[(3R)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487255
(2-methoxyphenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918090
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1H-indol-3-yl(spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 15952131
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 53185539

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91917986) is 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is COC1CCOC2(CCN(C(=O)c3c[nH]c4ccccc34)CC2)C1.
What is the InChIKey of 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is XQTGKHCKFOVOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-14-6-11-24-19(12-14)7-9-21(10-8-19)18(22)16-13-20-17-5-3-2-4-15(16)17/h2-5,13-14,20H,6-12H2,1H3.
What are the key properties of 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91917986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).