ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate

C17H23NO2 — CID 135289880

IUPACethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C17H23NO2/c1-2-20-16(19)15-8-11-18(13-17(15)9-10-17)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyCDXXFGNEBAFENH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.85
Rot. Bonds4

About ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate

ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate (PubChem CID 135289880) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
PubChem CID135289880
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C17H23NO2/c1-2-20-16(19)15-8-11-18(13-17(15)9-10-17)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyCDXXFGNEBAFENH-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
CID 124709143
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
diethyl 1-benzyl-3-methylpyrrolidine-3,4-dicarboxylate
CID 70324739
propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate
CID 167224628
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947
ethyl (3S,4S)-3-amino-1-benzylpiperidine-4-carboxylate;dihydrochloride
CID 155921053
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
ethyl 8-benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 12900626
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate?
The IUPAC name of ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate (CID 135289880) is ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate.
What is the SMILES notation for ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate?
The canonical SMILES for ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate is CCOC(=O)C1CCN(Cc2ccccc2)CC12CC2.
What is the InChIKey of ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate?
The InChIKey is CDXXFGNEBAFENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-20-16(19)15-8-11-18(13-17(15)9-10-17)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3.
What are the key properties of ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate?
ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate is sourced from PubChem (CID 135289880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).