ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate

C20H33N3O2 — CID 159520645

IUPACethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate
SMILESCCOC(=O)C1C(N2CCC(N3CC4CC4C3)CC2)CC12CCNC2
InChIInChI=1S/C20H33N3O2/c1-2-25-19(24)18-17(10-20(18)5-6-21-13-20)22-7-3-16(4-8-22)23-11-14-9-15(14)12-23/h14-18,21H,2-13H2,1H3
InChIKeyJSLCICGBUFWAEY-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate

ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate (PubChem CID 159520645) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate
PubChem CID159520645
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Nameethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate
SMILESCCOC(=O)C1C(N2CCC(N3CC4CC4C3)CC2)CC12CCNC2
InChIInChI=1S/C20H33N3O2/c1-2-25-19(24)18-17(10-20(18)5-6-21-13-20)22-7-3-16(4-8-22)23-11-14-9-15(14)12-23/h14-18,21H,2-13H2,1H3
InChIKeyJSLCICGBUFWAEY-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295160
ethyl 2-thia-7-azaspiro[4.4]nonane-1-carboxylate
CID 67852432
ethyl spiro[bicyclo[2.2.1]heptane-5,3'-pyrrolidine]-2-yl carbonate
CID 67827597
(2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide
CID 161083086
ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 63138698
1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one
CID 158953751
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
ethyl 3-piperazin-1-ylcyclobutane-1-carboxylate
CID 166000292
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate
CID 171092521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate?
The IUPAC name of ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate (CID 159520645) is ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate.
What is the SMILES notation for ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate?
The canonical SMILES for ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate is CCOC(=O)C1C(N2CCC(N3CC4CC4C3)CC2)CC12CCNC2.
What is the InChIKey of ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate?
The InChIKey is JSLCICGBUFWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-2-25-19(24)18-17(10-20(18)5-6-21-13-20)22-7-3-16(4-8-22)23-11-14-9-15(14)12-23/h14-18,21H,2-13H2,1H3.
What are the key properties of ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate?
ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate has a molecular weight of 347.50 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate is sourced from PubChem (CID 159520645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).