2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide

C18H25F3N4O — CID 87539406

IUPAC2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide
SMILESCC1CCN(c2cc(N3CCNCC3)ccc2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N4O/c1-13-4-8-25(9-5-13)16-12-14(24-10-6-22-7-11-24)2-3-15(16)23-17(26)18(19,20)21/h2-3,12-13,22H,4-11H2,1H3,(H,23,26)
InChIKeyXPJIREQWTPQHPE-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.83
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide

2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide (PubChem CID 87539406) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide
PubChem CID87539406
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC Name2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide
SMILESCC1CCN(c2cc(N3CCNCC3)ccc2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N4O/c1-13-4-8-25(9-5-13)16-12-14(24-10-6-22-7-11-24)2-3-15(16)23-17(26)18(19,20)21/h2-3,12-13,22H,4-11H2,1H3,(H,23,26)
InChIKeyXPJIREQWTPQHPE-UHFFFAOYSA-N
XLogP2.83
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide (CID 87539406) is 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide is CC1CCN(c2cc(N3CCNCC3)ccc2NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide?
The InChIKey is XPJIREQWTPQHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c1-13-4-8-25(9-5-13)16-12-14(24-10-6-22-7-11-24)2-3-15(16)23-17(26)18(19,20)21/h2-3,12-13,22H,4-11H2,1H3,(H,23,26).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide?
2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide has a molecular weight of 370.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]acetamide is sourced from PubChem (CID 87539406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).