2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one

C20H25N3O3 — CID 97458800

IUPAC2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(CC(=O)N2C[C@H](C)C[C@H](C)C2)nc1-c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14-9-15(2)12-22(11-14)19(25)13-23-18(24)10-17(26-3)20(21-23)16-7-5-4-6-8-16/h4-8,10,14-15H,9,11-13H2,1-3H3/t14-,15+
InChIKeyKBVXQFUHRUOPFH-GASCZTMLSA-N
MW355.44 g/mol
LogP2.42
Rot. Bonds4

About 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one

2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one (PubChem CID 97458800) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
PubChem CID97458800
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(CC(=O)N2C[C@H](C)C[C@H](C)C2)nc1-c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14-9-15(2)12-22(11-14)19(25)13-23-18(24)10-17(26-3)20(21-23)16-7-5-4-6-8-16/h4-8,10,14-15H,9,11-13H2,1-3H3/t14-,15+
InChIKeyKBVXQFUHRUOPFH-GASCZTMLSA-N
XLogP2.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one with MolForge

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Related Compounds

N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
CID 91938956
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
5-methoxy-6-(4-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830829
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938931
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830904
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 7211177
2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55824562
5-methoxy-6-(4-methoxyphenyl)-2-(4-oxo-4-pyrrolidin-1-ylbutyl)pyridazin-3-one
CID 71830824
5-methoxy-6-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 71830838

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one (CID 97458800) is 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one is COc1cc(=O)n(CC(=O)N2C[C@H](C)C[C@H](C)C2)nc1-c1ccccc1.
What is the InChIKey of 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one?
The InChIKey is KBVXQFUHRUOPFH-GASCZTMLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-9-15(2)12-22(11-14)19(25)13-23-18(24)10-17(26-3)20(21-23)16-7-5-4-6-8-16/h4-8,10,14-15H,9,11-13H2,1-3H3/t14-,15+.
What are the key properties of 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one?
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one has a molecular weight of 355.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one is sourced from PubChem (CID 97458800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).