N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide

C20H35N3O — CID 70846821

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide
SMILESCCN1CCC2(CCC(C(=O)NC3CN4CCC3CC4)CC2)CC1
InChIInChI=1S/C20H35N3O/c1-2-22-13-9-20(10-14-22)7-3-17(4-8-20)19(24)21-18-15-23-11-5-16(18)6-12-23/h16-18H,2-15H2,1H3,(H,21,24)
InChIKeyLIDHMSWDROOTKM-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.49
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 70846821) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide
PubChem CID70846821
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide
SMILESCCN1CCC2(CCC(C(=O)NC3CN4CCC3CC4)CC2)CC1
InChIInChI=1S/C20H35N3O/c1-2-22-13-9-20(10-14-22)7-3-17(4-8-20)19(24)21-18-15-23-11-5-16(18)6-12-23/h16-18H,2-15H2,1H3,(H,21,24)
InChIKeyLIDHMSWDROOTKM-UHFFFAOYSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide (CID 70846821) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide is CCN1CCC2(CCC(C(=O)NC3CN4CCC3CC4)CC2)CC1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is LIDHMSWDROOTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-2-22-13-9-20(10-14-22)7-3-17(4-8-20)19(24)21-18-15-23-11-5-16(18)6-12-23/h16-18H,2-15H2,1H3,(H,21,24).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 333.52 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-3-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 70846821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).