6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one

C19H23N3O3 — CID 8553180

IUPAC6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)N1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C19H23N3O3/c1-13-9-14(2)12-21(11-13)19(24)18-16(25-3)10-17(23)22(20-18)15-7-5-4-6-8-15/h4-8,10,13-14H,9,11-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyWDTMAEWNGDALQC-ZIAGYGMSSA-N
MW341.41 g/mol
LogP2.36
Rot. Bonds3

About 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one

6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one (PubChem CID 8553180) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
PubChem CID8553180
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)N1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C19H23N3O3/c1-13-9-14(2)12-21(11-13)19(24)18-16(25-3)10-17(23)22(20-18)15-7-5-4-6-8-15/h4-8,10,13-14H,9,11-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyWDTMAEWNGDALQC-ZIAGYGMSSA-N
XLogP2.36
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one with MolForge

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Related Compounds

5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 8553150
6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
CID 8555727
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233
5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
CID 40693658
6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 122246547
N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8552987
N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 26842143
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640
ethyl (3R)-1-[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]piperidine-3-carboxylate
CID 8555696
4-methoxy-N,N-bis(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8554268
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
CID 8555810

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
The IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one (CID 8553180) is 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one is COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
The InChIKey is WDTMAEWNGDALQC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-9-14(2)12-21(11-13)19(24)18-16(25-3)10-17(23)22(20-18)15-7-5-4-6-8-15/h4-8,10,13-14H,9,11-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 8553180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).