naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

C20H19N3O2 — CID 71799353

IUPACnaphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C20H19N3O2/c24-20(18-8-3-6-15-5-1-2-7-17(15)18)23-13-10-16(11-14-23)25-19-9-4-12-21-22-19/h1-9,12,16H,10-11,13-14H2
InChIKeyJEGIWYSEFMBKBC-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.31
Rot. Bonds3

About naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone

naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 71799353) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID71799353
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namenaphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C20H19N3O2/c24-20(18-8-3-6-15-5-1-2-7-17(15)18)23-13-10-16(11-14-23)25-19-9-4-12-21-22-19/h1-9,12,16H,10-11,13-14H2
InChIKeyJEGIWYSEFMBKBC-UHFFFAOYSA-N
XLogP3.31
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 71799353) is naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is O=C(c1cccc2ccccc12)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is JEGIWYSEFMBKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(18-8-3-6-15-5-1-2-7-17(15)18)23-13-10-16(11-14-23)25-19-9-4-12-21-22-19/h1-9,12,16H,10-11,13-14H2.
What are the key properties of naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone?
naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 333.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 71799353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).