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

C18H32ClN3O — CID 66700959

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CN2CCC1CC2)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H31N3O.ClH/c22-17(20-16-13-21-11-3-14(16)4-12-21)15-1-5-18(6-2-15)7-9-19-10-8-18;/h14-16,19H,1-13H2,(H,20,22);1H/t16-;/m0./s1
InChIKeyQDQNFUKTGZCIQE-NTISSMGPSA-N
MW341.93 g/mol
LogP2.18
Rot. Bonds2

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride (PubChem CID 66700959) has the molecular formula C18H32ClN3O and a molecular weight of 341.93 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride
PubChem CID66700959
Molecular FormulaC18H32ClN3O
Molecular Weight341.93 g/mol
Exact Mass341.22
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CN2CCC1CC2)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H31N3O.ClH/c22-17(20-16-13-21-11-3-14(16)4-12-21)15-1-5-18(6-2-15)7-9-19-10-8-18;/h14-16,19H,1-13H2,(H,20,22);1H/t16-;/m0./s1
InChIKeyQDQNFUKTGZCIQE-NTISSMGPSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride (CID 66700959) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride is Cl.O=C(N[C@H]1CN2CCC1CC2)C1CCC2(CCNCC2)CC1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride?
The InChIKey is QDQNFUKTGZCIQE-NTISSMGPSA-N. The full InChI is InChI=1S/C18H31N3O.ClH/c22-17(20-16-13-21-11-3-14(16)4-12-21)15-1-5-18(6-2-15)7-9-19-10-8-18;/h14-16,19H,1-13H2,(H,20,22);1H/t16-;/m0./s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride has a molecular weight of 341.93 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide;hydrochloride is sourced from PubChem (CID 66700959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).