(2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

C16H16ClN3O2 — CID 71799349

IUPAC(2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C16H16ClN3O2/c17-14-5-2-1-4-13(14)16(21)20-10-7-12(8-11-20)22-15-6-3-9-18-19-15/h1-6,9,12H,7-8,10-11H2
InChIKeyOMRIZDIMWVTVPK-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.81
Rot. Bonds3

About (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

(2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 71799349) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID71799349
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name(2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C16H16ClN3O2/c17-14-5-2-1-4-13(14)16(21)20-10-7-12(8-11-20)22-15-6-3-9-18-19-15/h1-6,9,12H,7-8,10-11H2
InChIKeyOMRIZDIMWVTVPK-UHFFFAOYSA-N
XLogP2.81
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 71799349) is (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is O=C(c1ccccc1Cl)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is OMRIZDIMWVTVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-14-5-2-1-4-13(14)16(21)20-10-7-12(8-11-20)22-15-6-3-9-18-19-15/h1-6,9,12H,7-8,10-11H2.
What are the key properties of (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
(2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 317.78 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 71799349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).