benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate

C16H22N2O2 — CID 66570416

IUPACbenzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C16H22N2O2/c19-15(20-12-14-4-2-1-3-5-14)18-11-8-16(13-18)6-9-17-10-7-16/h1-5,17H,6-13H2
InChIKeyDFQASBLNWYEDIT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.40
Rot. Bonds2

About benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate

benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 66570416) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID66570416
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namebenzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C16H22N2O2/c19-15(20-12-14-4-2-1-3-5-14)18-11-8-16(13-18)6-9-17-10-7-16/h1-5,17H,6-13H2
InChIKeyDFQASBLNWYEDIT-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 176719975
2-(7-azaspiro[3.5]nonan-2-yloxy)ethanol;benzyl 2-(2-hydroxyethoxy)-7-azaspiro[3.5]nonane-7-carboxylate;hydrochloride
CID 160500157
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 4-hydroxy-4-methylpiperidine-1-carboxylate;methane;methanol;4-methylpiperidin-4-ol
CID 160875015
benzyl 4-(7-azaspiro[3.5]nonan-2-ylmethyl)piperazine-1-carboxylate
CID 165136917
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 2,6-diazaspiro[3.4]octane-6-carboxylate;4-methylbenzenesulfonic acid
CID 138393666
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl 8-(bromomethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 71650616

Frequently Asked Questions

What is the IUPAC name of benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate (CID 66570416) is benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate is O=C(OCc1ccccc1)N1CCC2(CCNCC2)C1.
What is the InChIKey of benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is DFQASBLNWYEDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(20-12-14-4-2-1-3-5-14)18-11-8-16(13-18)6-9-17-10-7-16/h1-5,17H,6-13H2.
What are the key properties of benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate?
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 66570416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).