6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one

C17H21N3O — CID 7659691

IUPAC6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCN1CCCCC1
InChIInChI=1S/C17H21N3O/c21-17-10-9-16(15-7-3-1-4-8-15)18-20(17)14-13-19-11-5-2-6-12-19/h1,3-4,7-10H,2,5-6,11-14H2
InChIKeyMXIKODNZEMHPTF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.40
Rot. Bonds4

About 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one

6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 7659691) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID7659691
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CCN1CCCCC1
InChIInChI=1S/C17H21N3O/c21-17-10-9-16(15-7-3-1-4-8-15)18-20(17)14-13-19-11-5-2-6-12-19/h1,3-4,7-10H,2,5-6,11-14H2
InChIKeyMXIKODNZEMHPTF-UHFFFAOYSA-N
XLogP2.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one (CID 7659691) is 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CCN1CCCCC1.
What is the InChIKey of 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is MXIKODNZEMHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17-10-9-16(15-7-3-1-4-8-15)18-20(17)14-13-19-11-5-2-6-12-19/h1,3-4,7-10H,2,5-6,11-14H2.
What are the key properties of 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 283.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7659691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).