3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one

C11H16ClN3OS — CID 96669353

IUPAC3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3OS/c12-9-1-2-11(17-9)15-7-5-14(6-8-15)10(16)3-4-13/h1-2H,3-8,13H2
InChIKeyRACYIHZDXWDCCO-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.40
Rot. Bonds3

About 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 96669353) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one
PubChem CID96669353
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3OS/c12-9-1-2-11(17-9)15-7-5-14(6-8-15)10(16)3-4-13/h1-2H,3-8,13H2
InChIKeyRACYIHZDXWDCCO-UHFFFAOYSA-N
XLogP1.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one (CID 96669353) is 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(c2ccc(Cl)s2)CC1.
What is the InChIKey of 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is RACYIHZDXWDCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c12-9-1-2-11(17-9)15-7-5-14(6-8-15)10(16)3-4-13/h1-2H,3-8,13H2.
What are the key properties of 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 273.79 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 96669353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).