8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one

C19H21N3O3 — CID 5308840

IUPAC8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCC4C)c3c2c1
InChIInChI=1S/C19H21N3O3/c1-12-6-7-16-14(9-12)18-15(19(24)25-16)10-20-22(18)11-17(23)21-8-4-3-5-13(21)2/h6-7,9-10,13H,3-5,8,11H2,1-2H3
InChIKeyZCZOAZQPIZRACP-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.85
Rot. Bonds2

About 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one

8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one (PubChem CID 5308840) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
PubChem CID5308840
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCC4C)c3c2c1
InChIInChI=1S/C19H21N3O3/c1-12-6-7-16-14(9-12)18-15(19(24)25-16)10-20-22(18)11-17(23)21-8-4-3-5-13(21)2/h6-7,9-10,13H,3-5,8,11H2,1-2H3
InChIKeyZCZOAZQPIZRACP-UHFFFAOYSA-N
XLogP2.85
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one?
The IUPAC name of 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one (CID 5308840) is 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one.
What is the SMILES notation for 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one?
The canonical SMILES for 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one is Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCC4C)c3c2c1.
What is the InChIKey of 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one?
The InChIKey is ZCZOAZQPIZRACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-6-7-16-14(9-12)18-15(19(24)25-16)10-20-22(18)11-17(23)21-8-4-3-5-13(21)2/h6-7,9-10,13H,3-5,8,11H2,1-2H3.
What are the key properties of 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one?
8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one has a molecular weight of 339.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one is sourced from PubChem (CID 5308840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).