phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C21H24N2O3 — CID 97418986

IUPACphenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2
InChIInChI=1S/C21H24N2O3/c24-20(18-6-2-1-3-7-18)23-11-8-21(9-12-23)13-19(16-26-21)25-15-17-5-4-10-22-14-17/h1-7,10,14,19H,8-9,11-13,15-16H2/t19-/m1/s1
InChIKeyCLSUUOATAHYPEK-LJQANCHMSA-N
MW352.43 g/mol
LogP3.06
Rot. Bonds4

About phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97418986) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97418986
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Namephenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2
InChIInChI=1S/C21H24N2O3/c24-20(18-6-2-1-3-7-18)23-11-8-21(9-12-23)13-19(16-26-21)25-15-17-5-4-10-22-14-17/h1-7,10,14,19H,8-9,11-13,15-16H2/t19-/m1/s1
InChIKeyCLSUUOATAHYPEK-LJQANCHMSA-N
XLogP3.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131659490
(2-methylpyrazol-3-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131662155
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419504
1-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 131697114
cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419741
(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
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155830003
(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
CID 131657708
pyridin-2-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155845724

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97418986) is phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is O=C(c1ccccc1)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2.
What is the InChIKey of phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is CLSUUOATAHYPEK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(18-6-2-1-3-7-18)23-11-8-21(9-12-23)13-19(16-26-21)25-15-17-5-4-10-22-14-17/h1-7,10,14,19H,8-9,11-13,15-16H2/t19-/m1/s1.
What are the key properties of phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97418986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).