1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone

C11H15ClN2OS — CID 60645778

IUPAC1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
InChIKeyKIKCPJKIAGFHCO-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.07
Rot. Bonds2

About 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 60645778) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID60645778
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
InChIKeyKIKCPJKIAGFHCO-UHFFFAOYSA-N
XLogP2.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone (CID 60645778) is 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is KIKCPJKIAGFHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3.
What are the key properties of 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 258.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 60645778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).