[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride

C15H25ClN2O2 — CID 154922052

IUPAC[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride
SMILESCl.O=C([C@@H]1[C@H]2CC[C@@H]1NC2)N1CCC2(CCCO2)CC1
InChIInChI=1S/C15H24N2O2.ClH/c18-14(13-11-2-3-12(13)16-10-11)17-7-5-15(6-8-17)4-1-9-19-15;/h11-13,16H,1-10H2;1H/t11-,12-,13+;/m0./s1
InChIKeyRYTKTFNXPDUNTC-GRMSKOJTSA-N
MW300.83 g/mol
LogP1.58
Rot. Bonds1

About [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride

[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride (PubChem CID 154922052) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride
PubChem CID154922052
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride
SMILESCl.O=C([C@@H]1[C@H]2CC[C@@H]1NC2)N1CCC2(CCCO2)CC1
InChIInChI=1S/C15H24N2O2.ClH/c18-14(13-11-2-3-12(13)16-10-11)17-7-5-15(6-8-17)4-1-9-19-15;/h11-13,16H,1-10H2;1H/t11-,12-,13+;/m0./s1
InChIKeyRYTKTFNXPDUNTC-GRMSKOJTSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride?
The IUPAC name of [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride (CID 154922052) is [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride.
What is the SMILES notation for [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride?
The canonical SMILES for [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride is Cl.O=C([C@@H]1[C@H]2CC[C@@H]1NC2)N1CCC2(CCCO2)CC1.
What is the InChIKey of [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride?
The InChIKey is RYTKTFNXPDUNTC-GRMSKOJTSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c18-14(13-11-2-3-12(13)16-10-11)17-7-5-15(6-8-17)4-1-9-19-15;/h11-13,16H,1-10H2;1H/t11-,12-,13+;/m0./s1.
What are the key properties of [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride?
[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;hydrochloride is sourced from PubChem (CID 154922052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).