benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate

C15H18N2O3 — CID 117272543

IUPACbenzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(=O)C2(CCNC2)C1
InChIInChI=1S/C15H18N2O3/c18-13-8-17(11-15(13)6-7-16-10-15)14(19)20-9-12-4-2-1-3-5-12/h1-5,16H,6-11H2
InChIKeyWFPYVMFJNKXBTQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.19
Rot. Bonds2

About benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate

benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 117272543) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID117272543
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namebenzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(=O)C2(CCNC2)C1
InChIInChI=1S/C15H18N2O3/c18-13-8-17(11-15(13)6-7-16-10-15)14(19)20-9-12-4-2-1-3-5-12/h1-5,16H,6-11H2
InChIKeyWFPYVMFJNKXBTQ-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 135393291
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl (4S)-1-oxa-7-azaspiro[3.4]octane-7-carboxylate;methanol;(4S)-1-oxa-7-azaspiro[3.4]octane
CID 157316981
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride
CID 78357894
benzyl 4-hydroxy-4-methylpiperidine-1-carboxylate;methane;methanol;4-methylpiperidin-4-ol
CID 160875015
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065

Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 117272543) is benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate is O=C(OCc1ccccc1)N1CC(=O)C2(CCNC2)C1.
What is the InChIKey of benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is WFPYVMFJNKXBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13-8-17(11-15(13)6-7-16-10-15)14(19)20-9-12-4-2-1-3-5-12/h1-5,16H,6-11H2.
What are the key properties of benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate?
benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 117272543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).