7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione

C14H16N2O3 — CID 12728438

IUPAC7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)C2(CCCO2)N1
InChIInChI=1S/C14H16N2O3/c17-12-10-16(9-11-5-2-1-3-6-11)13(18)14(15-12)7-4-8-19-14/h1-3,5-6H,4,7-10H2,(H,15,17)
InChIKeyDJSMFPOOTHEQMK-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.65
Rot. Bonds2

About 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione

7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione (PubChem CID 12728438) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione.

Molecular Properties

Compound Name7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
PubChem CID12728438
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)C2(CCCO2)N1
InChIInChI=1S/C14H16N2O3/c17-12-10-16(9-11-5-2-1-3-6-11)13(18)14(15-12)7-4-8-19-14/h1-3,5-6H,4,7-10H2,(H,15,17)
InChIKeyDJSMFPOOTHEQMK-UHFFFAOYSA-N
XLogP0.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The IUPAC name of 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione (CID 12728438) is 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione.
What is the SMILES notation for 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The canonical SMILES for 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione is O=C1CN(Cc2ccccc2)C(=O)C2(CCCO2)N1.
What is the InChIKey of 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
The InChIKey is DJSMFPOOTHEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-10-16(9-11-5-2-1-3-6-11)13(18)14(15-12)7-4-8-19-14/h1-3,5-6H,4,7-10H2,(H,15,17).
What are the key properties of 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione?
7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione has a molecular weight of 260.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione is sourced from PubChem (CID 12728438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).