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

C17H18ClN3O2 — CID 90559291

IUPAC2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-14-5-3-13(4-6-14)12-17(22)21-10-7-15(8-11-21)23-16-2-1-9-19-20-16/h1-6,9,15H,7-8,10-12H2
InChIKeyDXHSXGZRMKNSMH-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.74
Rot. Bonds4

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

2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone (PubChem CID 90559291) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
PubChem CID90559291
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-14-5-3-13(4-6-14)12-17(22)21-10-7-15(8-11-21)23-16-2-1-9-19-20-16/h1-6,9,15H,7-8,10-12H2
InChIKeyDXHSXGZRMKNSMH-UHFFFAOYSA-N
XLogP2.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161917
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638277
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638339
(E)-3-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799354
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559393
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone (CID 90559291) is 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The InChIKey is DXHSXGZRMKNSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-5-3-13(4-6-14)12-17(22)21-10-7-15(8-11-21)23-16-2-1-9-19-20-16/h1-6,9,15H,7-8,10-12H2.
What are the key properties of 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone?
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone has a molecular weight of 331.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 90559291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).