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

C17H19ClN2O2S — CID 9181171

IUPAC(5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c1-22-16-3-2-14(18)10-15(16)17(21)20-7-5-19(6-8-20)11-13-4-9-23-12-13/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyOKOTUMILSXWNIN-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.37
Rot. Bonds4

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

(5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 9181171) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID9181171
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c1-22-16-3-2-14(18)10-15(16)17(21)20-7-5-19(6-8-20)11-13-4-9-23-12-13/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyOKOTUMILSXWNIN-UHFFFAOYSA-N
XLogP3.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 9181171) is (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is OKOTUMILSXWNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-22-16-3-2-14(18)10-15(16)17(21)20-7-5-19(6-8-20)11-13-4-9-23-12-13/h2-4,9-10,12H,5-8,11H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 350.87 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9181171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).