4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C20H26N2O2S — CID 131677503

IUPAC4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(OCCC2CCOC23CCN(Cc2ccsc2)CC3)c1
InChIInChI=1S/C20H26N2O2S/c1-2-19(14-21-8-1)23-11-3-18-4-12-24-20(18)6-9-22(10-7-20)15-17-5-13-25-16-17/h1-2,5,8,13-14,16,18H,3-4,6-7,9-12,15H2
InChIKeyXWLNXCMUXLROPT-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.98
Rot. Bonds6

About 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131677503) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID131677503
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1cncc(OCCC2CCOC23CCN(Cc2ccsc2)CC3)c1
InChIInChI=1S/C20H26N2O2S/c1-2-19(14-21-8-1)23-11-3-18-4-12-24-20(18)6-9-22(10-7-20)15-17-5-13-25-16-17/h1-2,5,8,13-14,16,18H,3-4,6-7,9-12,15H2
InChIKeyXWLNXCMUXLROPT-UHFFFAOYSA-N
XLogP3.98
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124810202
2-[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
CID 133141658
4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131658499
(4S,5S)-4-(pyridin-3-yloxymethyl)-9-(thiophen-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155842003
8-(oxan-4-ylmethyl)-4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155839117
4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155837613
(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207
2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131649467
[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 133140773
(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124779502
4-(2-methoxyethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859647
(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783528

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 131677503) is 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1cncc(OCCC2CCOC23CCN(Cc2ccsc2)CC3)c1.
What is the InChIKey of 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XWLNXCMUXLROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-19(14-21-8-1)23-11-3-18-4-12-24-20(18)6-9-22(10-7-20)15-17-5-13-25-16-17/h1-2,5,8,13-14,16,18H,3-4,6-7,9-12,15H2.
What are the key properties of 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 358.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131677503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).