3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one

C16H18N4O3 — CID 100641225

IUPAC3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(O[C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nn1
InChIInChI=1S/C16H18N4O3/c1-11-6-7-14(19-18-11)23-12-4-3-9-20(10-12)16(22)13-5-2-8-17-15(13)21/h2,5-8,12H,3-4,9-10H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyXAEQOCVFFRTDGV-GFCCVEGCSA-N
MW314.34 g/mol
LogP1.16
Rot. Bonds3

About 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one

3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 100641225) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID100641225
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(O[C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nn1
InChIInChI=1S/C16H18N4O3/c1-11-6-7-14(19-18-11)23-12-4-3-9-20(10-12)16(22)13-5-2-8-17-15(13)21/h2,5-8,12H,3-4,9-10H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyXAEQOCVFFRTDGV-GFCCVEGCSA-N
XLogP1.16
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100641925
1H-indol-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626807
furan-3-yl-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642616
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627736
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
(4-methylpiperazin-1-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100643728
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 91627765
1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464
3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
CID 110208246
[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone
CID 100643748
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one (CID 100641225) is 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)nn1.
What is the InChIKey of 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XAEQOCVFFRTDGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-6-7-14(19-18-11)23-12-4-3-9-20(10-12)16(22)13-5-2-8-17-15(13)21/h2,5-8,12H,3-4,9-10H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 314.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 100641225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).