(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone

C17H20N2O3 — CID 75419494

IUPAC(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOc1nc(C(=O)N2CCCC(OC)C2)cc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-21-13-7-5-9-19(11-13)17(20)15-10-12-6-3-4-8-14(12)16(18-15)22-2/h3-4,6,8,10,13H,5,7,9,11H2,1-2H3
InChIKeyHDXCPEFADRKWLF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.49
Rot. Bonds3

About (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone

(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 75419494) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID75419494
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOc1nc(C(=O)N2CCCC(OC)C2)cc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-21-13-7-5-9-19(11-13)17(20)15-10-12-6-3-4-8-14(12)16(18-15)22-2/h3-4,6,8,10,13H,5,7,9,11H2,1-2H3
InChIKeyHDXCPEFADRKWLF-UHFFFAOYSA-N
XLogP2.49
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
CID 60621042
(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97007368
(1-methoxyisoquinolin-3-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 71935286
(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
CID 146125418
(2,4-dimethylpiperazin-1-yl)-(1-methoxyisoquinolin-3-yl)methanone
CID 71877416
5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 119181333
(1-chloroisoquinolin-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300647
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
CID 102969358
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
(1-methoxyisoquinolin-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95151150

Frequently Asked Questions

What is the IUPAC name of (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone (CID 75419494) is (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone is COc1nc(C(=O)N2CCCC(OC)C2)cc2ccccc12.
What is the InChIKey of (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is HDXCPEFADRKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-13-7-5-9-19(11-13)17(20)15-10-12-6-3-4-8-14(12)16(18-15)22-2/h3-4,6,8,10,13H,5,7,9,11H2,1-2H3.
What are the key properties of (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone?
(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 75419494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).