4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one

C15H15ClN2OS — CID 3070023

IUPAC4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(Cc2ccc(Cl)cc2)C1c1cccs1
InChIInChI=1S/C15H15ClN2OS/c16-12-5-3-11(4-6-12)10-18-8-7-17-15(19)14(18)13-2-1-9-20-13/h1-6,9,14H,7-8,10H2,(H,17,19)
InChIKeyNQYLUZKAOACFHN-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.07
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one

4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one (PubChem CID 3070023) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one
PubChem CID3070023
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(Cc2ccc(Cl)cc2)C1c1cccs1
InChIInChI=1S/C15H15ClN2OS/c16-12-5-3-11(4-6-12)10-18-8-7-17-15(19)14(18)13-2-1-9-20-13/h1-6,9,14H,7-8,10H2,(H,17,19)
InChIKeyNQYLUZKAOACFHN-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one (CID 3070023) is 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one is O=C1NCCN(Cc2ccc(Cl)cc2)C1c1cccs1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is NQYLUZKAOACFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-12-5-3-11(4-6-12)10-18-8-7-17-15(19)14(18)13-2-1-9-20-13/h1-6,9,14H,7-8,10H2,(H,17,19).
What are the key properties of 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one?
4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 306.82 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 3070023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).