1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone

C11H14ClN3O — CID 63845855

IUPAC1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O/c1-8(16)9-4-2-3-7-15(9)11-6-5-10(12)13-14-11/h5-6,9H,2-4,7H2,1H3
InChIKeyVAHFVIBGIVOQKJ-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.08
Rot. Bonds2

About 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone

1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone (PubChem CID 63845855) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone
PubChem CID63845855
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O/c1-8(16)9-4-2-3-7-15(9)11-6-5-10(12)13-14-11/h5-6,9H,2-4,7H2,1H3
InChIKeyVAHFVIBGIVOQKJ-UHFFFAOYSA-N
XLogP2.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pyrazin-2-ylpiperidin-2-yl)ethanone
CID 63845687
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
2-(6-chloropyridazin-3-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925110
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
CID 59303878
CID 59303878
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
3-[1-(6-chloropyridazin-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468492
4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
CID 55256246
3-chloro-6-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pyridazine
CID 129497823
2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63380093
tert-butyl 1-(6-chloropyridazin-3-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
CID 137481317

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone (CID 63845855) is 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1c1ccc(Cl)nn1.
What is the InChIKey of 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone?
The InChIKey is VAHFVIBGIVOQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-8(16)9-4-2-3-7-15(9)11-6-5-10(12)13-14-11/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone?
1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone has a molecular weight of 239.71 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloropyridazin-3-yl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63845855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).