1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone

C20H27N3O5 — CID 109173959

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(N2CCC3(CC2)OCCO3)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H27N3O5/c24-18(23-9-4-20(5-10-23)27-13-14-28-20)16-1-6-21-17(15-16)22-7-2-19(3-8-22)25-11-12-26-19/h1,6,15H,2-5,7-14H2
InChIKeyLYIAQPVYHJDOLV-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.40
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone (PubChem CID 109173959) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
PubChem CID109173959
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(N2CCC3(CC2)OCCO3)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H27N3O5/c24-18(23-9-4-20(5-10-23)27-13-14-28-20)16-1-6-21-17(15-16)22-7-2-19(3-8-22)25-11-12-26-19/h1,6,15H,2-5,7-14H2
InChIKeyLYIAQPVYHJDOLV-UHFFFAOYSA-N
XLogP1.40
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173968
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-4-carboxamide
CID 109174043
4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109084662
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109174068
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109174046
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109345888
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972
4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155001

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone (CID 109173959) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone is O=C(c1ccnc(N2CCC3(CC2)OCCO3)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone?
The InChIKey is LYIAQPVYHJDOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c24-18(23-9-4-20(5-10-23)27-13-14-28-20)16-1-6-21-17(15-16)22-7-2-19(3-8-22)25-11-12-26-19/h1,6,15H,2-5,7-14H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone has a molecular weight of 389.45 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 109173959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).