(3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone

C18H23N3O3 — CID 134071274

IUPAC(3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone
SMILESCOC1COC2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1
InChIInChI=1S/C18H23N3O3/c1-20-15-7-4-3-6-14(15)16(19-20)17(22)21-9-5-8-18(12-21)10-13(23-2)11-24-18/h3-4,6-7,13H,5,8-12H2,1-2H3
InChIKeyIRLAAGRDIRSDCE-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.98
Rot. Bonds2

About (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone

(3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone (PubChem CID 134071274) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone
PubChem CID134071274
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone
SMILESCOC1COC2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1
InChIInChI=1S/C18H23N3O3/c1-20-15-7-4-3-6-14(15)16(19-20)17(22)21-9-5-8-18(12-21)10-13(23-2)11-24-18/h3-4,6-7,13H,5,8-12H2,1-2H3
InChIKeyIRLAAGRDIRSDCE-UHFFFAOYSA-N
XLogP1.98
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97488853
(1-methylindazol-3-yl)-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131651071
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(3,4-difluorophenyl)-[(3R,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419415
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
[(3R,5R)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 131688625
(2-fluoro-4-pyridinyl)-[(3S,5R)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867340
(3,3-difluorocyclobutyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419661
[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylindazol-3-yl)methanone
CID 131659460
[(3S,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831753
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridazin-4-ylmethanone
CID 97419440
[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone
CID 155986478

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone (CID 134071274) is (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone is COC1COC2(CCCN(C(=O)c3nn(C)c4ccccc34)C2)C1.
What is the InChIKey of (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone?
The InChIKey is IRLAAGRDIRSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-20-15-7-4-3-6-14(15)16(19-20)17(22)21-9-5-8-18(12-21)10-13(23-2)11-24-18/h3-4,6-7,13H,5,8-12H2,1-2H3.
What are the key properties of (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone?
(3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 134071274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).