2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one

C22H23N3O3S — CID 16671052

IUPAC2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESCOc1ccccc1CC(=O)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1
InChIInChI=1S/C22H23N3O3S/c1-28-19-6-3-2-5-16(19)15-22(27)24-12-10-17(11-13-24)25-21(26)9-8-18(23-25)20-7-4-14-29-20/h2-9,14,17H,10-13,15H2,1H3
InChIKeySPFOSPZUMPJQIU-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one

2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16671052) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16671052
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESCOc1ccccc1CC(=O)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1
InChIInChI=1S/C22H23N3O3S/c1-28-19-6-3-2-5-16(19)15-22(27)24-12-10-17(11-13-24)25-21(26)9-8-18(23-25)20-7-4-14-29-20/h2-9,14,17H,10-13,15H2,1H3
InChIKeySPFOSPZUMPJQIU-UHFFFAOYSA-N
XLogP3.39
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride
CID 6460999
2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 92595281
2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 110214070
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 121017192
1-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72932896
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 16669577
2-[[1-(4-methoxycyclohexanecarbonyl)piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16669529
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797622
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one (CID 16671052) is 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one is COc1ccccc1CC(=O)N1CCC(n2nc(-c3cccs3)ccc2=O)CC1.
What is the InChIKey of 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is SPFOSPZUMPJQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-28-19-6-3-2-5-16(19)15-22(27)24-12-10-17(11-13-24)25-21(26)9-8-18(23-25)20-7-4-14-29-20/h2-9,14,17H,10-13,15H2,1H3.
What are the key properties of 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one?
2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 409.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16671052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).