2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H20ClN3OS — CID 1443660

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)NCc1cccs1
InChIInChI=1S/C17H20ClN3OS/c18-14-3-5-15(6-4-14)21-9-7-20(8-10-21)13-17(22)19-12-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyXJJDKPMSHYMEJD-UHFFFAOYSA-N
MW349.89 g/mol
LogP2.84
Rot. Bonds5

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1443660) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1443660
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)NCc1cccs1
InChIInChI=1S/C17H20ClN3OS/c18-14-3-5-15(6-4-14)21-9-7-20(8-10-21)13-17(22)19-12-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyXJJDKPMSHYMEJD-UHFFFAOYSA-N
XLogP2.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 1443660) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NCc1cccs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XJJDKPMSHYMEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-14-3-5-15(6-4-14)21-9-7-20(8-10-21)13-17(22)19-12-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 349.89 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1443660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).