3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one

C19H24N4O2 — CID 126777765

IUPAC3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCOc1cccc2c1CCN(C1CCCN(c3cnn(C)c3)C1=O)C2
InChIInChI=1S/C19H24N4O2/c1-21-13-15(11-20-21)23-9-4-6-17(19(23)24)22-10-8-16-14(12-22)5-3-7-18(16)25-2/h3,5,7,11,13,17H,4,6,8-10,12H2,1-2H3
InChIKeyZGWZCOBLAIWFHE-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.98
Rot. Bonds3

About 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 126777765) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID126777765
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCOc1cccc2c1CCN(C1CCCN(c3cnn(C)c3)C1=O)C2
InChIInChI=1S/C19H24N4O2/c1-21-13-15(11-20-21)23-9-4-6-17(19(23)24)22-10-8-16-14(12-22)5-3-7-18(16)25-2/h3,5,7,11,13,17H,4,6,8-10,12H2,1-2H3
InChIKeyZGWZCOBLAIWFHE-UHFFFAOYSA-N
XLogP1.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 126777765) is 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one is COc1cccc2c1CCN(C1CCCN(c3cnn(C)c3)C1=O)C2.
What is the InChIKey of 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is ZGWZCOBLAIWFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-13-15(11-20-21)23-9-4-6-17(19(23)24)22-10-8-16-14(12-22)5-3-7-18(16)25-2/h3,5,7,11,13,17H,4,6,8-10,12H2,1-2H3.
What are the key properties of 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 126777765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).