phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone

C23H21N3O3 — CID 71799337

IUPACphenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C23H21N3O3/c27-22(17-7-2-1-3-8-17)19-9-4-5-10-20(19)23(28)26-15-12-18(13-16-26)29-21-11-6-14-24-25-21/h1-11,14,18H,12-13,15-16H2
InChIKeyLEIIWUBVXXTWGP-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.39
Rot. Bonds5

About phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone

phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone (PubChem CID 71799337) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone
PubChem CID71799337
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namephenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C23H21N3O3/c27-22(17-7-2-1-3-8-17)19-9-4-5-10-20(19)23(28)26-15-12-18(13-16-26)29-21-11-6-14-24-25-21/h1-11,14,18H,12-13,15-16H2
InChIKeyLEIIWUBVXXTWGP-UHFFFAOYSA-N
XLogP3.39
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone?
The IUPAC name of phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone (CID 71799337) is phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone?
The canonical SMILES for phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone?
The InChIKey is LEIIWUBVXXTWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(17-7-2-1-3-8-17)19-9-4-5-10-20(19)23(28)26-15-12-18(13-16-26)29-21-11-6-14-24-25-21/h1-11,14,18H,12-13,15-16H2.
What are the key properties of phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone?
phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone has a molecular weight of 387.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 71799337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).