2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

C18H21N3O2S — CID 95791832

IUPAC2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(C1CC1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C18H21N3O2S/c22-17-8-7-15(16-4-2-10-24-16)19-21(17)12-13-3-1-9-20(11-13)18(23)14-5-6-14/h2,4,7-8,10,13-14H,1,3,5-6,9,11-12H2/t13-/m1/s1
InChIKeyNHNSIAGVFRVUJL-CYBMUJFWSA-N
MW343.45 g/mol
LogP2.62
Rot. Bonds4

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

2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 95791832) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID95791832
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(C1CC1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C18H21N3O2S/c22-17-8-7-15(16-4-2-10-24-16)19-21(17)12-13-3-1-9-20(11-13)18(23)14-5-6-14/h2,4,7-8,10,13-14H,1,3,5-6,9,11-12H2/t13-/m1/s1
InChIKeyNHNSIAGVFRVUJL-CYBMUJFWSA-N
XLogP2.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 46959195
6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one
CID 16672134
2-[[1-(4-methoxycyclohexanecarbonyl)piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16669529
2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16671160
2-[[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16670984
2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one
CID 7659593
2-[[1-(1-methylpiperidine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929624
2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797607
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797622
1-(cyclopropylmethyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 121211052
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (CID 95791832) is 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is O=C(C1CC1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1.
What is the InChIKey of 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is NHNSIAGVFRVUJL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17-8-7-15(16-4-2-10-24-16)19-21(17)12-13-3-1-9-20(11-13)18(23)14-5-6-14/h2,4,7-8,10,13-14H,1,3,5-6,9,11-12H2/t13-/m1/s1.
What are the key properties of 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 343.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 95791832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).