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

C15H18FNO3 — CID 35371006

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C15H18FNO3/c1-11-2-3-12(10-13(11)16)14(18)17-6-4-15(5-7-17)19-8-9-20-15/h2-3,10H,4-9H2,1H3
InChIKeyYWPXAFFHIKXLHV-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.11
Rot. Bonds1

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone (PubChem CID 35371006) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone
PubChem CID35371006
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C15H18FNO3/c1-11-2-3-12(10-13(11)16)14(18)17-6-4-15(5-7-17)19-8-9-20-15/h2-3,10H,4-9H2,1H3
InChIKeyYWPXAFFHIKXLHV-UHFFFAOYSA-N
XLogP2.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone (CID 35371006) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1F.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is YWPXAFFHIKXLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-11-2-3-12(10-13(11)16)14(18)17-6-4-15(5-7-17)19-8-9-20-15/h2-3,10H,4-9H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 279.31 g/mol, XLogP of 2.11, 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-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 35371006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).