(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane

C20H31N3O2 — CID 97475098

IUPAC(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(CN2CCC3(CC2)C[C@@H](OCCN2CCCC2)CO3)c1
InChIInChI=1S/C20H31N3O2/c1-2-9-22(8-1)12-13-24-19-14-20(25-17-19)5-10-23(11-6-20)16-18-4-3-7-21-15-18/h3-4,7,15,19H,1-2,5-6,8-14,16-17H2/t19-/m1/s1
InChIKeyAJINHRYOFKXQNC-LJQANCHMSA-N
MW345.49 g/mol
LogP2.32
Rot. Bonds6

About (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane

(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97475098) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97475098
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(CN2CCC3(CC2)C[C@@H](OCCN2CCCC2)CO3)c1
InChIInChI=1S/C20H31N3O2/c1-2-9-22(8-1)12-13-24-19-14-20(25-17-19)5-10-23(11-6-20)16-18-4-3-7-21-15-18/h3-4,7,15,19H,1-2,5-6,8-14,16-17H2/t19-/m1/s1
InChIKeyAJINHRYOFKXQNC-LJQANCHMSA-N
XLogP2.32
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97419188
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166
(3S)-3-(pyridin-3-ylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97394954
(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418992
(3S)-8-[(5-methylfuran-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97371236
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
(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
8-(2-methoxyethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 134071228
N-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696954
3-(pyridin-3-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071058
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97420082

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane (CID 97475098) is (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane is c1cncc(CN2CCC3(CC2)C[C@@H](OCCN2CCCC2)CO3)c1.
What is the InChIKey of (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is AJINHRYOFKXQNC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-9-22(8-1)12-13-24-19-14-20(25-17-19)5-10-23(11-6-20)16-18-4-3-7-21-15-18/h3-4,7,15,19H,1-2,5-6,8-14,16-17H2/t19-/m1/s1.
What are the key properties of (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 345.49 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(pyridin-3-ylmethyl)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97475098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).