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

C22H29N3O2 — CID 131658499

IUPAC4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(COCCC2CCOC23CCN(Cc2cccnc2)CC3)nc1
InChIInChI=1S/C22H29N3O2/c1-2-11-24-21(5-1)18-26-14-6-20-7-15-27-22(20)8-12-25(13-9-22)17-19-4-3-10-23-16-19/h1-5,10-11,16,20H,6-9,12-15,17-18H2
InChIKeyYPJAXHUCAJEMOL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.45
Rot. Bonds7

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

4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131658499) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID131658499
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(COCCC2CCOC23CCN(Cc2cccnc2)CC3)nc1
InChIInChI=1S/C22H29N3O2/c1-2-11-24-21(5-1)18-26-14-6-20-7-15-27-22(20)8-12-25(13-9-22)17-19-4-3-10-23-16-19/h1-5,10-11,16,20H,6-9,12-15,17-18H2
InChIKeyYPJAXHUCAJEMOL-UHFFFAOYSA-N
XLogP3.45
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(8S)-8-[2-(pyridin-2-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124798743
(4S)-8-methyl-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 124813519
(4R)-8-methyl-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 124813520
(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124790929
4-[2-(pyridin-2-ylmethoxy)ethyl]-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155863845
4-(2-methoxyethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859647
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
4-(2-pyridin-3-yloxyethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131677503
N,N-dimethyl-2-[2-[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]ethoxy]acetamide
CID 131677276
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796905
2-cyclopropyl-1-[(4S)-4-[2-(pyridin-3-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124791732
(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 131658499) is 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1ccc(COCCC2CCOC23CCN(Cc2cccnc2)CC3)nc1.
What is the InChIKey of 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YPJAXHUCAJEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-11-24-21(5-1)18-26-14-6-20-7-15-27-22(20)8-12-25(13-9-22)17-19-4-3-10-23-16-19/h1-5,10-11,16,20H,6-9,12-15,17-18H2.
What are the key properties of 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 367.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131658499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).