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

C14H17NO3 — CID 2813375

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17NO3/c16-13(12-4-2-1-3-5-12)15-8-6-14(7-9-15)17-10-11-18-14/h1-5H,6-11H2
InChIKeyFDLWODUQUBESCB-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.67
Rot. Bonds1

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone (PubChem CID 2813375) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone
PubChem CID2813375
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17NO3/c16-13(12-4-2-1-3-5-12)15-8-6-14(7-9-15)17-10-11-18-14/h1-5H,6-11H2
InChIKeyFDLWODUQUBESCB-UHFFFAOYSA-N
XLogP1.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoylpiperidine
CID 69892
N-Benzoylmorpholine
CID 15114
N-Benzoyl-4-piperidone
CID 90583
1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(2-fluorophenyl)methanone
CID 1991451
8-(4-Fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2241021
N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951
8-(2-Chloro-4-fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467102
8-(4-Chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242062
3-Fluorobenzoic acid, morpholide
CID 532004
8-(2-Phenylbutanoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2970422
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone
CID 6464965

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone (CID 2813375) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone is O=C(c1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone?
The InChIKey is FDLWODUQUBESCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(12-4-2-1-3-5-12)15-8-6-14(7-9-15)17-10-11-18-14/h1-5H,6-11H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(phenyl)methanone is sourced from PubChem (CID 2813375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).