1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone

C17H24N4O3 — CID 100638372

IUPAC1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)CC1
InChIInChI=1S/C17H24N4O3/c1-13(22)20-10-6-14(7-11-20)17(23)21-9-3-4-15(12-21)24-16-5-2-8-18-19-16/h2,5,8,14-15H,3-4,6-7,9-12H2,1H3/t15-/m1/s1
InChIKeyTYWFWAQDESGYHY-OAHLLOKOSA-N
MW332.40 g/mol
LogP1.10
Rot. Bonds3

About 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 100638372) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID100638372
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)CC1
InChIInChI=1S/C17H24N4O3/c1-13(22)20-10-6-14(7-11-20)17(23)21-9-3-4-15(12-21)24-16-5-2-8-18-19-16/h2,5,8,14-15H,3-4,6-7,9-12H2,1H3/t15-/m1/s1
InChIKeyTYWFWAQDESGYHY-OAHLLOKOSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
2,3-dihydro-1,4-benzodioxin-3-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627675
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 91627690
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 100638372) is 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)CC1.
What is the InChIKey of 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is TYWFWAQDESGYHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13(22)20-10-6-14(7-11-20)17(23)21-9-3-4-15(12-21)24-16-5-2-8-18-19-16/h2,5,8,14-15H,3-4,6-7,9-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 332.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 100638372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).