2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C19H20F3N3O — CID 1278179

IUPAC2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-5-4-6-16(13-15)23-18(26)14-24-9-11-25(12-10-24)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26)
InChIKeyCCQNMQPDEUYZDR-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.47
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1278179) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1278179
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-5-4-6-16(13-15)23-18(26)14-24-9-11-25(12-10-24)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26)
InChIKeyCCQNMQPDEUYZDR-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1278179) is 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CCQNMQPDEUYZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)15-5-4-6-16(13-15)23-18(26)14-24-9-11-25(12-10-24)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,23,26).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1278179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).