(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

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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).