6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one

C20H21N3O2S2 — CID 16672134

IUPAC6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one
SMILESO=C(Cc1ccsc1)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C20H21N3O2S2/c24-19-6-5-17(18-4-2-9-27-18)21-23(19)13-16-3-1-8-22(12-16)20(25)11-15-7-10-26-14-15/h2,4-7,9-10,14,16H,1,3,8,11-13H2/t16-/m0/s1
InChIKeyVVLNDKUITGHUDE-INIZCTEOSA-N
MW399.54 g/mol
LogP3.51
Rot. Bonds5

About 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one

6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one (PubChem CID 16672134) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one
PubChem CID16672134
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one
SMILESO=C(Cc1ccsc1)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C20H21N3O2S2/c24-19-6-5-17(18-4-2-9-27-18)21-23(19)13-16-3-1-8-22(12-16)20(25)11-15-7-10-26-14-15/h2,4-7,9-10,14,16H,1,3,8,11-13H2/t16-/m0/s1
InChIKeyVVLNDKUITGHUDE-INIZCTEOSA-N
XLogP3.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 46959195
2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 95791832
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741
1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 61205444
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16671160
2-[[1-(4-methoxycyclohexanecarbonyl)piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16669529
1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70788695
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
2-[[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16670984

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one (CID 16672134) is 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one is O=C(Cc1ccsc1)N1CCC[C@H](Cn2nc(-c3cccs3)ccc2=O)C1.
What is the InChIKey of 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is VVLNDKUITGHUDE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c24-19-6-5-17(18-4-2-9-27-18)21-23(19)13-16-3-1-8-22(12-16)20(25)11-15-7-10-26-14-15/h2,4-7,9-10,14,16H,1,3,8,11-13H2/t16-/m0/s1.
What are the key properties of 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one?
6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 399.54 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-2-[[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 16672134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).