6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one

C20H29N3O — CID 46703314

IUPAC6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCC(C)Cc1ccc(C2=NN(CN3CCCCC3)C(=O)CC2)cc1
InChIInChI=1S/C20H29N3O/c1-16(2)14-17-6-8-18(9-7-17)19-10-11-20(24)23(21-19)15-22-12-4-3-5-13-22/h6-9,16H,3-5,10-15H2,1-2H3
InChIKeyDGKTVYWJKAZQFV-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.65
Rot. Bonds5

About 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one

6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46703314) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46703314
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCC(C)Cc1ccc(C2=NN(CN3CCCCC3)C(=O)CC2)cc1
InChIInChI=1S/C20H29N3O/c1-16(2)14-17-6-8-18(9-7-17)19-10-11-20(24)23(21-19)15-22-12-4-3-5-13-22/h6-9,16H,3-5,10-15H2,1-2H3
InChIKeyDGKTVYWJKAZQFV-UHFFFAOYSA-N
XLogP3.65
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46703314) is 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one is CC(C)Cc1ccc(C2=NN(CN3CCCCC3)C(=O)CC2)cc1.
What is the InChIKey of 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is DGKTVYWJKAZQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-16(2)14-17-6-8-18(9-7-17)19-10-11-20(24)23(21-19)15-22-12-4-3-5-13-22/h6-9,16H,3-5,10-15H2,1-2H3.
What are the key properties of 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 327.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)phenyl]-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46703314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).