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

C15H19NO4 — CID 2242064

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H19NO4/c1-18-13-4-2-12(3-5-13)14(17)16-8-6-15(7-9-16)19-10-11-20-15/h2-5H,6-11H2,1H3
InChIKeyIDJOFZGRJPJTPE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.67
Rot. Bonds2

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone (PubChem CID 2242064) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone
PubChem CID2242064
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H19NO4/c1-18-13-4-2-12(3-5-13)14(17)16-8-6-15(7-9-16)19-10-11-20-15/h2-5H,6-11H2,1H3
InChIKeyIDJOFZGRJPJTPE-UHFFFAOYSA-N
XLogP1.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone (CID 2242064) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone?
The InChIKey is IDJOFZGRJPJTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-13-4-2-12(3-5-13)14(17)16-8-6-15(7-9-16)19-10-11-20-15/h2-5H,6-11H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methoxyphenyl)methanone has a molecular weight of 277.32 g/mol, XLogP of 1.67, 2 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-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2242064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).