2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

C16H20N2O — CID 104558437

IUPAC2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCNC2)N1CC2CCC1C2
InChIInChI=1S/C16H20N2O/c19-16(18-10-11-4-5-13(18)8-11)15-3-1-2-12-9-17-7-6-14(12)15/h1-3,11,13,17H,4-10H2
InChIKeyBYDJLMDVNMJDQM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.96
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (PubChem CID 104558437) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
PubChem CID104558437
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCNC2)N1CC2CCC1C2
InChIInChI=1S/C16H20N2O/c19-16(18-10-11-4-5-13(18)8-11)15-3-1-2-12-9-17-7-6-14(12)15/h1-3,11,13,17H,4-10H2
InChIKeyBYDJLMDVNMJDQM-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone with MolForge

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Related Compounds

2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849199
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
(2-amino-3-methylphenyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 54976231
1-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)piperidine-4-carboxamide
CID 104557882
(3-ethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104558943
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 62159557
2-azabicyclo[2.2.1]heptan-2-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547762
2-azabicyclo[2.2.1]heptan-2-yl-(2-chloro-3-nitrophenyl)methanone
CID 112576363
(4-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612615
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone (CID 104558437) is 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is O=C(c1cccc2c1CCNC2)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
The InChIKey is BYDJLMDVNMJDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(18-10-11-4-5-13(18)8-11)15-3-1-2-12-9-17-7-6-14(12)15/h1-3,11,13,17H,4-10H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone is sourced from PubChem (CID 104558437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).