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

C24H25N3O3S — CID 110214070

IUPAC2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESCOc1ccc(C2(C(=O)N3CCCC(n4nc(-c5cccs5)ccc4=O)C3)CC2)cc1
InChIInChI=1S/C24H25N3O3S/c1-30-19-8-6-17(7-9-19)24(12-13-24)23(29)26-14-2-4-18(16-26)27-22(28)11-10-20(25-27)21-5-3-15-31-21/h3,5-11,15,18H,2,4,12-14,16H2,1H3
InChIKeyOEQWBVZCAFQAST-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.88
Rot. Bonds5

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

2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 110214070) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID110214070
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESCOc1ccc(C2(C(=O)N3CCCC(n4nc(-c5cccs5)ccc4=O)C3)CC2)cc1
InChIInChI=1S/C24H25N3O3S/c1-30-19-8-6-17(7-9-19)24(12-13-24)23(29)26-14-2-4-18(16-26)27-22(28)11-10-20(25-27)21-5-3-15-31-21/h3,5-11,15,18H,2,4,12-14,16H2,1H3
InChIKeyOEQWBVZCAFQAST-UHFFFAOYSA-N
XLogP3.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one with MolForge

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Related Compounds

2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 92595281
[1-(4-methoxyphenyl)cyclopropyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106781
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797622
2-[(3S)-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797616
2-[1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 110214063
2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797607
(3S)-3-[2-oxo-2-[(3R)-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 95797611
(3S)-3-[2-oxo-2-[(3S)-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 95797609
2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one
CID 16671052
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56701547
[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652422
[(3R)-3-(4-methoxyphenyl)azepan-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 99876809

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (CID 110214070) is 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is COc1ccc(C2(C(=O)N3CCCC(n4nc(-c5cccs5)ccc4=O)C3)CC2)cc1.
What is the InChIKey of 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is OEQWBVZCAFQAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-30-19-8-6-17(7-9-19)24(12-13-24)23(29)26-14-2-4-18(16-26)27-22(28)11-10-20(25-27)21-5-3-15-31-21/h3,5-11,15,18H,2,4,12-14,16H2,1H3.
What are the key properties of 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 435.55 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 110214070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).