1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride

C18H19ClN2O2S — CID 71782896

IUPAC1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cc2ccccc2o1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H18N2O2S.ClH/c21-18(17-11-15-3-1-2-4-16(15)22-17)20-8-6-19(7-9-20)12-14-5-10-23-13-14;/h1-5,10-11,13H,6-9,12H2;1H
InChIKeyCTZPWFSKEFTTGP-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.87
Rot. Bonds3

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

1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 71782896) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID71782896
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cc2ccccc2o1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H18N2O2S.ClH/c21-18(17-11-15-3-1-2-4-16(15)22-17)20-8-6-19(7-9-20)12-14-5-10-23-13-14;/h1-5,10-11,13H,6-9,12H2;1H
InChIKeyCTZPWFSKEFTTGP-UHFFFAOYSA-N
XLogP3.87
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134711962
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9180908
1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786966
1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 34019768
(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 61140524
1-benzofuran-2-yl-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 63394374
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180639
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
[5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181680

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride (CID 71782896) is 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1cc2ccccc2o1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is CTZPWFSKEFTTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S.ClH/c21-18(17-11-15-3-1-2-4-16(15)22-17)20-8-6-19(7-9-20)12-14-5-10-23-13-14;/h1-5,10-11,13H,6-9,12H2;1H.
What are the key properties of 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71782896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).