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

C18H31N3O — CID 59505336

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(N[C@@H]1CN2CCC1CC2)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H31N3O/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)/t16-/m1/s1
InChIKeyDONOPZVGJVKVSM-MRXNPFEDSA-N
MW305.47 g/mol
LogP1.76
Rot. Bonds2

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

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 59505336) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide
PubChem CID59505336
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(N[C@@H]1CN2CCC1CC2)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H31N3O/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)/t16-/m1/s1
InChIKeyDONOPZVGJVKVSM-MRXNPFEDSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide (CID 59505336) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide is O=C(N[C@@H]1CN2CCC1CC2)C1CCC2(CCNCC2)CC1.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is DONOPZVGJVKVSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N3O/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)/t16-/m1/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 305.47 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 59505336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).