[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone

C19H27N3O2 — CID 9489775

IUPAC[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCOCC2)ccn1)N1CC[C@@H]2CCCC[C@H]2C1
InChIInChI=1S/C19H27N3O2/c23-19(22-8-6-15-3-1-2-4-16(15)14-22)18-13-17(5-7-20-18)21-9-11-24-12-10-21/h5,7,13,15-16H,1-4,6,8-12,14H2/t15-,16-/m0/s1
InChIKeyQCZYPWLKNXBREM-HOTGVXAUSA-N
MW329.44 g/mol
LogP2.57
Rot. Bonds2

About [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone

[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone (PubChem CID 9489775) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
PubChem CID9489775
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCOCC2)ccn1)N1CC[C@@H]2CCCC[C@H]2C1
InChIInChI=1S/C19H27N3O2/c23-19(22-8-6-15-3-1-2-4-16(15)14-22)18-13-17(5-7-20-18)21-9-11-24-12-10-21/h5,7,13,15-16H,1-4,6,8-12,14H2/t15-,16-/m0/s1
InChIKeyQCZYPWLKNXBREM-HOTGVXAUSA-N
XLogP2.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
CID 43620518
(4-morpholin-4-yl-2-pyridinyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 136534504
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 56886009
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
[4-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56898986
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95724039

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The IUPAC name of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone (CID 9489775) is [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The canonical SMILES for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone is O=C(c1cc(N2CCOCC2)ccn1)N1CC[C@@H]2CCCC[C@H]2C1.
What is the InChIKey of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The InChIKey is QCZYPWLKNXBREM-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-19(22-8-6-15-3-1-2-4-16(15)14-22)18-13-17(5-7-20-18)21-9-11-24-12-10-21/h5,7,13,15-16H,1-4,6,8-12,14H2/t15-,16-/m0/s1.
What are the key properties of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone has a molecular weight of 329.44 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone is sourced from PubChem (CID 9489775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).