2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C18H27N3O3 — CID 131641585

IUPAC2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCN(C)CC(=O)N1CCC2(CC1)CC(OCc1ccncc1)CO2
InChIInChI=1S/C18H27N3O3/c1-20(2)12-17(22)21-9-5-18(6-10-21)11-16(14-24-18)23-13-15-3-7-19-8-4-15/h3-4,7-8,16H,5-6,9-14H2,1-2H3
InChIKeyAHAGRAOAZILBLG-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.31
Rot. Bonds5

About 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 131641585) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID131641585
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCN(C)CC(=O)N1CCC2(CC1)CC(OCc1ccncc1)CO2
InChIInChI=1S/C18H27N3O3/c1-20(2)12-17(22)21-9-5-18(6-10-21)11-16(14-24-18)23-13-15-3-7-19-8-4-15/h3-4,7-8,16H,5-6,9-14H2,1-2H3
InChIKeyAHAGRAOAZILBLG-UHFFFAOYSA-N
XLogP1.31
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone with MolForge

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Related Compounds

2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477117
(3S)-8-methylsulfonyl-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97474987
1-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-thiophen-2-ylethanone
CID 97420030
2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131662176
2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394423
2-(dimethylamino)-1-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394424
8-cyclopropylsulfonyl-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131644438
(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
CID 131657708
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419525
(3R)-8-(cyclobutylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419083
8-[(2-methylphenyl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131639785
2-methoxy-1-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155843197

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 131641585) is 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is CN(C)CC(=O)N1CCC2(CC1)CC(OCc1ccncc1)CO2.
What is the InChIKey of 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is AHAGRAOAZILBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)12-17(22)21-9-5-18(6-10-21)11-16(14-24-18)23-13-15-3-7-19-8-4-15/h3-4,7-8,16H,5-6,9-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 333.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 131641585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).