1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone

C16H22N2O2 — CID 118744631

IUPAC1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone
SMILESCC1COC2(CCN(C(=O)Cc3ccncc3)CC2)C1
InChIInChI=1S/C16H22N2O2/c1-13-11-16(20-12-13)4-8-18(9-5-16)15(19)10-14-2-6-17-7-3-14/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyKSOWQZFFSAHWJC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds2

About 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone

1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone (PubChem CID 118744631) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone
PubChem CID118744631
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone
SMILESCC1COC2(CCN(C(=O)Cc3ccncc3)CC2)C1
InChIInChI=1S/C16H22N2O2/c1-13-11-16(20-12-13)4-8-18(9-5-16)15(19)10-14-2-6-17-7-3-14/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyKSOWQZFFSAHWJC-UHFFFAOYSA-N
XLogP2.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Octylpyridoglutethimide
CID 147045
(3R)-3-ethyl-1-octyl-3-pyridin-4-ylpiperidine-2,6-dione
CID 44323768
N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3151173
2-(3-Fluorophenyl)-1-[3-(methoxymethyl)-4-(pyridin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 110202848
3-Ethyl-1-hexyl-3-pyridin-4-ylpiperidine-2,6-dione
CID 13900582
3-Ethyl-1-heptyl-3-pyridin-4-ylpiperidine-2,6-dione
CID 13900583
(3R)-3-ethyl-1-heptyl-3-pyridin-4-ylpiperidine-2,6-dione
CID 44323782
(3R)-3-ethyl-1-hexyl-3-pyridin-4-ylpiperidine-2,6-dione
CID 44323783
1-(Morpholin-4-yl)-2-(pyridin-3-yl)ethan-1-one
CID 10867473
1-(4-Ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
CID 110697055
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 3224888
1-Butyl-3-ethyl-3-pyridin-4-ylpiperidine-2,6-dione
CID 13900580

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone (CID 118744631) is 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone is CC1COC2(CCN(C(=O)Cc3ccncc3)CC2)C1.
What is the InChIKey of 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone?
The InChIKey is KSOWQZFFSAHWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-11-16(20-12-13)4-8-18(9-5-16)15(19)10-14-2-6-17-7-3-14/h2-3,6-7,13H,4-5,8-12H2,1H3.
What are the key properties of 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone?
1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone has a molecular weight of 274.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 118744631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).