(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone

C17H19N3O2 — CID 100638429

IUPAC(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC[C@H](Oc3cccnn3)C2)cc1
InChIInChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)17(21)20-11-3-4-15(12-20)22-16-5-2-10-18-19-16/h2,5-10,15H,3-4,11-12H2,1H3/t15-/m0/s1
InChIKeyHCFSBCNSVJZWMA-HNNXBMFYSA-N
MW297.36 g/mol
LogP2.47
Rot. Bonds3

About (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone

(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone (PubChem CID 100638429) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
PubChem CID100638429
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC[C@H](Oc3cccnn3)C2)cc1
InChIInChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)17(21)20-11-3-4-15(12-20)22-16-5-2-10-18-19-16/h2,5-10,15H,3-4,11-12H2,1H3/t15-/m0/s1
InChIKeyHCFSBCNSVJZWMA-HNNXBMFYSA-N
XLogP2.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 91627644
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 90638303
(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638234
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
(3-methoxy-1-methylpyrazol-4-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639162
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone (CID 100638429) is (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC[C@H](Oc3cccnn3)C2)cc1.
What is the InChIKey of (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
The InChIKey is HCFSBCNSVJZWMA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)17(21)20-11-3-4-15(12-20)22-16-5-2-10-18-19-16/h2,5-10,15H,3-4,11-12H2,1H3/t15-/m0/s1.
What are the key properties of (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone?
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 100638429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).