1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone

C13H21NO4 — CID 81448721

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21NO4/c1-10-2-7-16-11(10)12(15)14-5-3-13(4-6-14)17-8-9-18-13/h10-11H,2-9H2,1H3
InChIKeyBZTIZHKLBYUQGE-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.78
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone (PubChem CID 81448721) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone
PubChem CID81448721
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21NO4/c1-10-2-7-16-11(10)12(15)14-5-3-13(4-6-14)17-8-9-18-13/h10-11H,2-9H2,1H3
InChIKeyBZTIZHKLBYUQGE-UHFFFAOYSA-N
XLogP0.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methylpiperidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 102961746
(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 81462888
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 103575749
1-(3-methyloxolane-2-carbonyl)-1,4-diazepan-5-one
CID 81448608
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
CID 113222366
3-methyl-1-(3-methyloxolane-2-carbonyl)piperidin-4-one
CID 114499767
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6464838
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiolan-2-yl)methanone
CID 79040739
(1S,2S,3S,4S)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 100741999
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyloxolan-2-yl)methanone
CID 114778389
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone (CID 81448721) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone is CC1CCOC1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone?
The InChIKey is BZTIZHKLBYUQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10-2-7-16-11(10)12(15)14-5-3-13(4-6-14)17-8-9-18-13/h10-11H,2-9H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone has a molecular weight of 255.31 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81448721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).