isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone

C19H22N2O3 — CID 75503683

IUPACisoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESCC1(C2CCCN(C(=O)c3nccc4ccccc34)C2)OCCO1
InChIInChI=1S/C19H22N2O3/c1-19(23-11-12-24-19)15-6-4-10-21(13-15)18(22)17-16-7-3-2-5-14(16)8-9-20-17/h2-3,5,7-9,15H,4,6,10-13H2,1H3
InChIKeyZBQMUDPQNZKHCN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.85
Rot. Bonds2

About isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone

isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone (PubChem CID 75503683) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
PubChem CID75503683
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameisoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
SMILESCC1(C2CCCN(C(=O)c3nccc4ccccc34)C2)OCCO1
InChIInChI=1S/C19H22N2O3/c1-19(23-11-12-24-19)15-6-4-10-21(13-15)18(22)17-16-7-3-2-5-14(16)8-9-20-17/h2-3,5,7-9,15H,4,6,10-13H2,1H3
InChIKeyZBQMUDPQNZKHCN-UHFFFAOYSA-N
XLogP2.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 86788553
ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106635
isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42240610
isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103462

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone (CID 75503683) is isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone is CC1(C2CCCN(C(=O)c3nccc4ccccc34)C2)OCCO1.
What is the InChIKey of isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZBQMUDPQNZKHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(23-11-12-24-19)15-6-4-10-21(13-15)18(22)17-16-7-3-2-5-14(16)8-9-20-17/h2-3,5,7-9,15H,4,6,10-13H2,1H3.
What are the key properties of isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone?
isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 75503683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).