2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C18H26N2O4 — CID 97418410

IUPAC2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CO[C@H](COCc1ccccn1)C2
InChIInChI=1S/C18H26N2O4/c1-22-13-17(21)20-8-5-18(6-9-20)10-16(24-14-18)12-23-11-15-4-2-3-7-19-15/h2-4,7,16H,5-6,8-14H2,1H3/t16-/m0/s1
InChIKeyHVYAEOPSTQGBMR-INIZCTEOSA-N
MW334.42 g/mol
LogP1.64
Rot. Bonds6

About 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97418410) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID97418410
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CO[C@H](COCc1ccccn1)C2
InChIInChI=1S/C18H26N2O4/c1-22-13-17(21)20-8-5-18(6-9-20)10-16(24-14-18)12-23-11-15-4-2-3-7-19-15/h2-4,7,16H,5-6,8-14H2,1H3/t16-/m0/s1
InChIKeyHVYAEOPSTQGBMR-INIZCTEOSA-N
XLogP1.64
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131644474
furan-3-yl-[(3R)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418404
2-cyclopropyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97422991
3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131645218
3-(pyridin-2-ylmethoxymethyl)-8-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155833160
1-[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenoxyethanone
CID 97418240
(3S)-N,N-dimethyl-3-[(6-methyl-2-pyridinyl)methoxymethyl]-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97422994
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418076
1-[(3R)-3-[(3-chlorophenyl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 124951514
1-[(3S)-3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
CID 97418153
3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131651226

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 97418410) is 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is COCC(=O)N1CCC2(CC1)CO[C@H](COCc1ccccn1)C2.
What is the InChIKey of 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is HVYAEOPSTQGBMR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-13-17(21)20-8-5-18(6-9-20)10-16(24-14-18)12-23-11-15-4-2-3-7-19-15/h2-4,7,16H,5-6,8-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97418410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).