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

C9H11ClN2OS — CID 47104644

IUPAC4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(Cl)s2)CCN1
InChIInChI=1S/C9H11ClN2OS/c10-8-2-1-7(14-8)5-12-4-3-11-9(13)6-12/h1-2H,3-6H2,(H,11,13)
InChIKeyPLWGDSNOOLAHNS-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.33
Rot. Bonds2

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

4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one (PubChem CID 47104644) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one
PubChem CID47104644
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(Cl)s2)CCN1
InChIInChI=1S/C9H11ClN2OS/c10-8-2-1-7(14-8)5-12-4-3-11-9(13)6-12/h1-2H,3-6H2,(H,11,13)
InChIKeyPLWGDSNOOLAHNS-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one (CID 47104644) is 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one is O=C1CN(Cc2ccc(Cl)s2)CCN1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one?
The InChIKey is PLWGDSNOOLAHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-8-2-1-7(14-8)5-12-4-3-11-9(13)6-12/h1-2H,3-6H2,(H,11,13).
What are the key properties of 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one?
4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one has a molecular weight of 230.72 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 47104644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).