1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone

C18H17NO2S — CID 71786966

IUPAC1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C18H17NO2S/c20-18(17-11-14-3-1-2-4-16(14)21-17)19-8-5-13(6-9-19)15-7-10-22-12-15/h1-4,7,10-13H,5-6,8-9H2
InChIKeyHPPANBAZJVUCCB-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.51
Rot. Bonds2

About 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone

1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone (PubChem CID 71786966) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone
PubChem CID71786966
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C18H17NO2S/c20-18(17-11-14-3-1-2-4-16(14)21-17)19-8-5-13(6-9-19)15-7-10-22-12-15/h1-4,7,10-13H,5-6,8-9H2
InChIKeyHPPANBAZJVUCCB-UHFFFAOYSA-N
XLogP4.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782896
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9180908
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134711962
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42569763
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
(7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581945
1-benzofuran-2-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56818170

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone (CID 71786966) is 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone is O=C(c1cc2ccccc2o1)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The InChIKey is HPPANBAZJVUCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-18(17-11-14-3-1-2-4-16(14)21-17)19-8-5-13(6-9-19)15-7-10-22-12-15/h1-4,7,10-13H,5-6,8-9H2.
What are the key properties of 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone?
1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone has a molecular weight of 311.41 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71786966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).