benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate

C16H20N2O4 — CID 14399672

IUPACbenzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate
SMILESO=C1CON(C(=O)OCc2ccccc2)C2(CCCCC2)N1
InChIInChI=1S/C16H20N2O4/c19-14-12-22-18(16(17-14)9-5-2-6-10-16)15(20)21-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,19)
InChIKeyWKWFMEFVNACMAS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.35
Rot. Bonds2

About benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate

benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate (PubChem CID 14399672) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate
PubChem CID14399672
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namebenzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate
SMILESO=C1CON(C(=O)OCc2ccccc2)C2(CCCCC2)N1
InChIInChI=1S/C16H20N2O4/c19-14-12-22-18(16(17-14)9-5-2-6-10-16)15(20)21-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,19)
InChIKeyWKWFMEFVNACMAS-UHFFFAOYSA-N
XLogP2.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate
CID 71741476
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
1-(4-phenylmethoxycarbonylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 167739156
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
2-phenylmethoxycarbonyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 12042827
benzyl (3S)-3-ethenyl-1-oxa-4-azaspiro[4.4]nonane-4-carboxylate
CID 176639056
benzyl (4R)-1-oxo-4-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 124560426
benzyl carbamate;piperidine-2,6-dione
CID 174491425
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282

Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate?
The IUPAC name of benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate (CID 14399672) is benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate.
What is the SMILES notation for benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate?
The canonical SMILES for benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate is O=C1CON(C(=O)OCc2ccccc2)C2(CCCCC2)N1.
What is the InChIKey of benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate?
The InChIKey is WKWFMEFVNACMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14-12-22-18(16(17-14)9-5-2-6-10-16)15(20)21-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,19).
What are the key properties of benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate?
benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-2-oxa-1,5-diazaspiro[5.5]undecane-1-carboxylate is sourced from PubChem (CID 14399672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).