(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C18H17ClN2O2S — CID 9182011

IUPAC(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H17ClN2O2S/c19-15-1-2-16-14(9-15)10-17(23-16)18(22)21-6-4-20(5-7-21)11-13-3-8-24-12-13/h1-3,8-10,12H,4-7,11H2
InChIKeyLRDYDFXTYIGODR-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.11
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 9182011) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID9182011
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H17ClN2O2S/c19-15-1-2-16-14(9-15)10-17(23-16)18(22)21-6-4-20(5-7-21)11-13-3-8-24-12-13/h1-3,8-10,12H,4-7,11H2
InChIKeyLRDYDFXTYIGODR-UHFFFAOYSA-N
XLogP4.11
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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)-1,4-diazepan-1-yl]methanone
CID 134711962
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71944079
(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31427597
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151441
(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 61140524
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9180908
4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9181355
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66375906
(E)-3-(3-chlorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 9180616

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 9182011) is (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2o1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is LRDYDFXTYIGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c19-15-1-2-16-14(9-15)10-17(23-16)18(22)21-6-4-20(5-7-21)11-13-3-8-24-12-13/h1-3,8-10,12H,4-7,11H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 360.87 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9182011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).