N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C20H23F3N4O — CID 9288403

IUPACN-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H23F3N4O/c1-14-4-3-5-15(2)19(14)25-18(28)13-26-8-10-27(11-9-26)17-7-6-16(12-24-17)20(21,22)23/h3-7,12H,8-11,13H2,1-2H3,(H,25,28)
InChIKeyXRORXEYMXLFSGP-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.48
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 9288403) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID9288403
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H23F3N4O/c1-14-4-3-5-15(2)19(14)25-18(28)13-26-8-10-27(11-9-26)17-7-6-16(12-24-17)20(21,22)23/h3-7,12H,8-11,13H2,1-2H3,(H,25,28)
InChIKeyXRORXEYMXLFSGP-UHFFFAOYSA-N
XLogP3.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 9288403) is N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is XRORXEYMXLFSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-14-4-3-5-15(2)19(14)25-18(28)13-26-8-10-27(11-9-26)17-7-6-16(12-24-17)20(21,22)23/h3-7,12H,8-11,13H2,1-2H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 392.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9288403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).