1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate

C14H17NO4 — CID 126455167

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate
SMILESO=C(ON1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)19-15-8-6-14(7-9-15)17-10-11-18-14/h1-5H,6-11H2
InChIKeyVUJNCESYQSADHP-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.60
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate

1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate (PubChem CID 126455167) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate
PubChem CID126455167
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate
SMILESO=C(ON1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)19-15-8-6-14(7-9-15)17-10-11-18-14/h1-5H,6-11H2
InChIKeyVUJNCESYQSADHP-UHFFFAOYSA-N
XLogP1.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate (CID 126455167) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate is O=C(ON1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate?
The InChIKey is VUJNCESYQSADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)19-15-8-6-14(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 benzoate?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate has a molecular weight of 263.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate is sourced from PubChem (CID 126455167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).