2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one

C18H23N3O — CID 72904427

IUPAC2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one
SMILESCC(c1ccc(-c2ccc(=O)n(C)n2)cc1)N1CCCCC1
InChIInChI=1S/C18H23N3O/c1-14(21-12-4-3-5-13-21)15-6-8-16(9-7-15)17-10-11-18(22)20(2)19-17/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyQSBNDCDNLQNJCY-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.99
Rot. Bonds3

About 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one

2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one (PubChem CID 72904427) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one
PubChem CID72904427
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one
SMILESCC(c1ccc(-c2ccc(=O)n(C)n2)cc1)N1CCCCC1
InChIInChI=1S/C18H23N3O/c1-14(21-12-4-3-5-13-21)15-6-8-16(9-7-15)17-10-11-18(22)20(2)19-17/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyQSBNDCDNLQNJCY-UHFFFAOYSA-N
XLogP2.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one (CID 72904427) is 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one is CC(c1ccc(-c2ccc(=O)n(C)n2)cc1)N1CCCCC1.
What is the InChIKey of 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one?
The InChIKey is QSBNDCDNLQNJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(21-12-4-3-5-13-21)15-6-8-16(9-7-15)17-10-11-18(22)20(2)19-17/h6-11,14H,3-5,12-13H2,1-2H3.
What are the key properties of 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one?
2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one has a molecular weight of 297.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(1-piperidin-1-ylethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 72904427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).