(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone

C19H24N2O3 — CID 146125418

IUPAC(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
SMILESCOCC1(C)CCN(C(=O)c2cc3ccccc3c(OC)n2)CC1
InChIInChI=1S/C19H24N2O3/c1-19(13-23-2)8-10-21(11-9-19)18(22)16-12-14-6-4-5-7-15(14)17(20-16)24-3/h4-7,12H,8-11,13H2,1-3H3
InChIKeyPKNPWCIEAOJJDM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds4

About (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone

(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone (PubChem CID 146125418) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
PubChem CID146125418
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
SMILESCOCC1(C)CCN(C(=O)c2cc3ccccc3c(OC)n2)CC1
InChIInChI=1S/C19H24N2O3/c1-19(13-23-2)8-10-21(11-9-19)18(22)16-12-14-6-4-5-7-15(14)17(20-16)24-3/h4-7,12H,8-11,13H2,1-3H3
InChIKeyPKNPWCIEAOJJDM-UHFFFAOYSA-N
XLogP3.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(1-methoxyisoquinolin-3-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 71935286
(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 75419494
(2,4-dimethylpiperazin-1-yl)-(1-methoxyisoquinolin-3-yl)methanone
CID 71877416
N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
CID 60621042
(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
CID 127918025
(1-methoxyisoquinolin-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95151150
(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97007368
(4-fluoro-3-methylphenyl)-[2-[4-(1-methoxyisoquinoline-3-carbonyl)-2,2-dimethylpiperazin-1-yl]-1,2,4-triazol-3-yl]methanone
CID 71603569
[2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone
CID 166318436
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide
CID 47079341
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131

Frequently Asked Questions

What is the IUPAC name of (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone?
The IUPAC name of (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone (CID 146125418) is (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone is COCC1(C)CCN(C(=O)c2cc3ccccc3c(OC)n2)CC1.
What is the InChIKey of (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone?
The InChIKey is PKNPWCIEAOJJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(13-23-2)8-10-21(11-9-19)18(22)16-12-14-6-4-5-7-15(14)17(20-16)24-3/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone?
(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 146125418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).