(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

C21H25FN2O2 — CID 97418992

IUPAC(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cccc(CN2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)c1
InChIInChI=1S/C21H25FN2O2/c22-19-5-1-3-17(11-19)14-24-9-6-21(7-10-24)12-20(16-26-21)25-15-18-4-2-8-23-13-18/h1-5,8,11,13,20H,6-7,9-10,12,14-16H2/t20-/m1/s1
InChIKeyXQLMRKQQIRXMPR-HXUWFJFHSA-N
MW356.44 g/mol
LogP3.56
Rot. Bonds5

About (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane

(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97418992) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97418992
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cccc(CN2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)c1
InChIInChI=1S/C21H25FN2O2/c22-19-5-1-3-17(11-19)14-24-9-6-21(7-10-24)12-20(16-26-21)25-15-18-4-2-8-23-13-18/h1-5,8,11,13,20H,6-7,9-10,12,14-16H2/t20-/m1/s1
InChIKeyXQLMRKQQIRXMPR-HXUWFJFHSA-N
XLogP3.56
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

(3S)-3-(pyridin-3-ylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97394954
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97371236
(3S,5S)-3-(pyridin-3-ylmethoxy)-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155863457
(3S)-8-[(3-methylphenyl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419069
3-(pyridin-3-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071058
(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97475098
(3S,5R)-7-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 124520516
(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97419188
3-[(6-methyl-2-pyridinyl)methoxy]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171688593
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
7-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 134073918

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 97418992) is (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is Fc1cccc(CN2CCC3(CC2)C[C@@H](OCc2cccnc2)CO3)c1.
What is the InChIKey of (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XQLMRKQQIRXMPR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-5-1-3-17(11-19)14-24-9-6-21(7-10-24)12-20(16-26-21)25-15-18-4-2-8-23-13-18/h1-5,8,11,13,20H,6-7,9-10,12,14-16H2/t20-/m1/s1.
What are the key properties of (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 356.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97418992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).