5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one

C18H21N3O3 — CID 8553150

IUPAC5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C18H21N3O3/c1-13-8-6-7-11-20(13)18(23)17-15(24-2)12-16(22)21(19-17)14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3/t13-/m0/s1
InChIKeyWIIVVWRRMCBDQR-ZDUSSCGKSA-N
MW327.38 g/mol
LogP2.26
Rot. Bonds3

About 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one

5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one (PubChem CID 8553150) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
PubChem CID8553150
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C18H21N3O3/c1-13-8-6-7-11-20(13)18(23)17-15(24-2)12-16(22)21(19-17)14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3/t13-/m0/s1
InChIKeyWIIVVWRRMCBDQR-ZDUSSCGKSA-N
XLogP2.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(2-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 18568903
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233
(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95756843
N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8552987
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95157198
4-methoxy-N,N-bis(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8554268
6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 122246547
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 26842143
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
CID 8555810
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one?
The IUPAC name of 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one (CID 8553150) is 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one is COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one?
The InChIKey is WIIVVWRRMCBDQR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-8-6-7-11-20(13)18(23)17-15(24-2)12-16(22)21(19-17)14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one?
5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one has a molecular weight of 327.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 8553150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).