1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C17H24N4O4 — CID 100630799

IUPAC1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(O[C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)nn1
InChIInChI=1S/C17H24N4O4/c1-12(22)20-8-5-13(6-9-20)17(23)21-10-7-14(11-21)25-16-4-3-15(24-2)18-19-16/h3-4,13-14H,5-11H2,1-2H3/t14-/m0/s1
InChIKeyXWELLHSQWJYGEW-AWEZNQCLSA-N
MW348.40 g/mol
LogP0.72
Rot. Bonds4

About 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 100630799) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID100630799
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(O[C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)nn1
InChIInChI=1S/C17H24N4O4/c1-12(22)20-8-5-13(6-9-20)17(23)21-10-7-14(11-21)25-16-4-3-15(24-2)18-19-16/h3-4,13-14H,5-11H2,1-2H3/t14-/m0/s1
InChIKeyXWELLHSQWJYGEW-AWEZNQCLSA-N
XLogP0.72
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512
(4-butylcyclohexyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639058
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 100626916
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 91627534
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 90639066
2-(2-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627502

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 100630799) is 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is COc1ccc(O[C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)nn1.
What is the InChIKey of 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is XWELLHSQWJYGEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(22)20-8-5-13(6-9-20)17(23)21-10-7-14(11-21)25-16-4-3-15(24-2)18-19-16/h3-4,13-14H,5-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 348.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 100630799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).