6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one

C18H25N3O — CID 46703175

IUPAC6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCCc1ccc(C2=NN(CN3CCCCC3)C(=O)CC2)cc1
InChIInChI=1S/C18H25N3O/c1-2-15-6-8-16(9-7-15)17-10-11-18(22)21(19-17)14-20-12-4-3-5-13-20/h6-9H,2-5,10-14H2,1H3
InChIKeyYDJFGQJGFVSRRP-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.02
Rot. Bonds4

About 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one

6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46703175) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46703175
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCCc1ccc(C2=NN(CN3CCCCC3)C(=O)CC2)cc1
InChIInChI=1S/C18H25N3O/c1-2-15-6-8-16(9-7-15)17-10-11-18(22)21(19-17)14-20-12-4-3-5-13-20/h6-9H,2-5,10-14H2,1H3
InChIKeyYDJFGQJGFVSRRP-UHFFFAOYSA-N
XLogP3.02
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46703175) is 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one is CCc1ccc(C2=NN(CN3CCCCC3)C(=O)CC2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is YDJFGQJGFVSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-15-6-8-16(9-7-15)17-10-11-18(22)21(19-17)14-20-12-4-3-5-13-20/h6-9H,2-5,10-14H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 299.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46703175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).