(2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C20H26N2O3 — CID 110156921

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCO[C@H]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@@]12CCCO2
InChIInChI=1S/C20H26N2O3/c1-13-14(2)21-17-6-5-15(11-16(13)17)19(23)22-9-7-18(24-3)20(12-22)8-4-10-25-20/h5-6,11,18,21H,4,7-10,12H2,1-3H3/t18-,20-/m0/s1
InChIKeyYMZGNJYGSNZMMW-ICSRJNTNSA-N
MW342.44 g/mol
LogP3.19
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 110156921) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID110156921
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCO[C@H]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@@]12CCCO2
InChIInChI=1S/C20H26N2O3/c1-13-14(2)21-17-6-5-15(11-16(13)17)19(23)22-9-7-18(24-3)20(12-22)8-4-10-25-20/h5-6,11,18,21H,4,7-10,12H2,1-3H3/t18-,20-/m0/s1
InChIKeyYMZGNJYGSNZMMW-ICSRJNTNSA-N
XLogP3.19
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159672
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
[(3aS,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 110126454
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
(2,3-dimethyl-1H-indol-5-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 136562206
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029189
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 110156921) is (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is CO[C@H]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@@]12CCCO2.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is YMZGNJYGSNZMMW-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-14(2)21-17-6-5-15(11-16(13)17)19(23)22-9-7-18(24-3)20(12-22)8-4-10-25-20/h5-6,11,18,21H,4,7-10,12H2,1-3H3/t18-,20-/m0/s1.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 110156921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).