3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

C21H27N3O2 — CID 131651226

IUPAC3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(CN2CCC3(CC2)COC(COCc2cccnc2)C3)nc1
InChIInChI=1S/C21H27N3O2/c1-2-9-23-19(5-1)14-24-10-6-21(7-11-24)12-20(26-17-21)16-25-15-18-4-3-8-22-13-18/h1-5,8-9,13,20H,6-7,10-12,14-17H2
InChIKeySXSRCJUVJQRLEH-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.06
Rot. Bonds6

About 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 131651226) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID131651226
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(CN2CCC3(CC2)COC(COCc2cccnc2)C3)nc1
InChIInChI=1S/C21H27N3O2/c1-2-9-23-19(5-1)14-24-10-6-21(7-11-24)12-20(26-17-21)16-25-15-18-4-3-8-22-13-18/h1-5,8-9,13,20H,6-7,10-12,14-17H2
InChIKeySXSRCJUVJQRLEH-UHFFFAOYSA-N
XLogP3.06
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(pyridin-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131646237
3-(pyridin-2-ylmethoxymethyl)-8-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155833160
8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131653506
(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965584
3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131645218
(3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418316
8-benzyl-3-(pyridin-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155840021
8-ethylsulfonyl-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155841405
N,N-dimethyl-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131644474
(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97486150
(3aR,7aR)-5-(pyridin-3-ylmethoxymethyl)-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133139383

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (CID 131651226) is 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is c1ccc(CN2CCC3(CC2)COC(COCc2cccnc2)C3)nc1.
What is the InChIKey of 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is SXSRCJUVJQRLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-9-23-19(5-1)14-24-10-6-21(7-11-24)12-20(26-17-21)16-25-15-18-4-3-8-22-13-18/h1-5,8-9,13,20H,6-7,10-12,14-17H2.
What are the key properties of 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 353.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131651226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).