3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one

C18H26N2O4 — CID 131671965

IUPAC3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCOCCC(=O)N1CC2(CC(CCOc3ccccn3)CCO2)C1
InChIInChI=1S/C18H26N2O4/c1-22-9-7-17(21)20-13-18(14-20)12-15(6-11-24-18)5-10-23-16-4-2-3-8-19-16/h2-4,8,15H,5-7,9-14H2,1H3
InChIKeyDPAIXPVPNPDRQA-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.89
Rot. Bonds7

About 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one

3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one (PubChem CID 131671965) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
PubChem CID131671965
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCOCCC(=O)N1CC2(CC(CCOc3ccccn3)CCO2)C1
InChIInChI=1S/C18H26N2O4/c1-22-9-7-17(21)20-13-18(14-20)12-15(6-11-24-18)5-10-23-16-4-2-3-8-19-16/h2-4,8,15H,5-7,9-14H2,1H3
InChIKeyDPAIXPVPNPDRQA-UHFFFAOYSA-N
XLogP1.89
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124791670
3-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one
CID 124796368
cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822
N,N-dimethyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825398
(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124896021
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124795166
8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171696059
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124818161
2-cyclopentyl-1-[8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131642459
2-cyclopentyloxy-1-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131653717
furan-3-yl-[(8S)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124795434
1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-one;2,2,2-trifluoroacetic acid
CID 155868688

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one (CID 131671965) is 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one is COCCC(=O)N1CC2(CC(CCOc3ccccn3)CCO2)C1.
What is the InChIKey of 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one?
The InChIKey is DPAIXPVPNPDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-9-7-17(21)20-13-18(14-20)12-15(6-11-24-18)5-10-23-16-4-2-3-8-19-16/h2-4,8,15H,5-7,9-14H2,1H3.
What are the key properties of 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one?
3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one has a molecular weight of 334.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one is sourced from PubChem (CID 131671965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).