3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone

C20H23N3O — CID 109226477

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1cncc(N2CCCCC2)c1)N1CCc2ccccc2C1
InChIInChI=1S/C20H23N3O/c24-20(23-11-8-16-6-2-3-7-17(16)15-23)18-12-19(14-21-13-18)22-9-4-1-5-10-22/h2-3,6-7,12-14H,1,4-5,8-11,15H2
InChIKeyVWQYLUUDUQEMDI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.27
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone (PubChem CID 109226477) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
PubChem CID109226477
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1cncc(N2CCCCC2)c1)N1CCc2ccccc2C1
InChIInChI=1S/C20H23N3O/c24-20(23-11-8-16-6-2-3-7-17(16)15-23)18-12-19(14-21-13-18)22-9-4-1-5-10-22/h2-3,6-7,12-14H,1,4-5,8-11,15H2
InChIKeyVWQYLUUDUQEMDI-UHFFFAOYSA-N
XLogP3.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
4-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
CID 109230887
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225533
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
(5-hydroxy-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63861055
[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238559
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
CID 109274481
N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
CID 109102324
[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109236119
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-3-carboxamide
CID 109101756
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310
N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide
CID 109105429

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone (CID 109226477) is 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone is O=C(c1cncc(N2CCCCC2)c1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone?
The InChIKey is VWQYLUUDUQEMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(23-11-8-16-6-2-3-7-17(16)15-23)18-12-19(14-21-13-18)22-9-4-1-5-10-22/h2-3,6-7,12-14H,1,4-5,8-11,15H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 109226477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).