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

C18H22FN3OS — CID 78787438

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3OS/c1-20(13-17-3-2-12-24-17)18(23)14-21-8-10-22(11-9-21)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13-14H2,1H3
InChIKeyBXCKCQSSUFIQQS-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.67
Rot. Bonds5

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78787438) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID78787438
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3OS/c1-20(13-17-3-2-12-24-17)18(23)14-21-8-10-22(11-9-21)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13-14H2,1H3
InChIKeyBXCKCQSSUFIQQS-UHFFFAOYSA-N
XLogP2.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 78787438) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BXCKCQSSUFIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-20(13-17-3-2-12-24-17)18(23)14-21-8-10-22(11-9-21)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78787438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).