[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone

C23H30N4O2 — CID 118183032

IUPAC[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1
InChIInChI=1S/C23H30N4O2/c1-29-15-11-24-22-7-6-19(16-25-22)23(28)26-13-9-21(10-14-26)27-12-8-18-4-2-3-5-20(18)17-27/h2-7,16,21H,8-15,17H2,1H3,(H,24,25)
InChIKeyLUHIUDADEUMEFE-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.80
Rot. Bonds6

About [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone (PubChem CID 118183032) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
PubChem CID118183032
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1
InChIInChI=1S/C23H30N4O2/c1-29-15-11-24-22-7-6-19(16-25-22)23(28)26-13-9-21(10-14-26)27-12-8-18-4-2-3-5-20(18)17-27/h2-7,16,21H,8-15,17H2,1H3,(H,24,25)
InChIKeyLUHIUDADEUMEFE-UHFFFAOYSA-N
XLogP2.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
[6-(3-methoxypropylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 146153252
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-[4-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 119099906
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 56911536
1-[5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]pyrimidin-2-yl]-3-(hydroxymethyl)azetidine-3-carboxylic acid
CID 154679423
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
(6-fluoro-3-pyridinyl)-[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 122615010
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
N-[2-[[5-(4-morpholin-4-ylpiperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56742452
[6-(3-methoxypropylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109153147

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone (CID 118183032) is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone is COCCNc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1.
What is the InChIKey of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone?
The InChIKey is LUHIUDADEUMEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-15-11-24-22-7-6-19(16-25-22)23(28)26-13-9-21(10-14-26)27-12-8-18-4-2-3-5-20(18)17-27/h2-7,16,21H,8-15,17H2,1H3,(H,24,25).
What are the key properties of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone?
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone has a molecular weight of 394.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 118183032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).