2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C23H23F3N6O2 — CID 87499064

IUPAC2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESO=C(Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1)C(F)(F)F
InChIInChI=1S/C23H23F3N6O2/c24-23(25,26)20(33)29-17-7-4-8-18(13-17)30-21-27-15-28-22(31-21)32-11-9-19(10-12-32)34-14-16-5-2-1-3-6-16/h1-8,13,15,19H,9-12,14H2,(H,29,33)(H,27,28,30,31)
InChIKeyQDGXNAGZUAKUHS-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.30
Rot. Bonds7

About 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 87499064) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID87499064
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESO=C(Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1)C(F)(F)F
InChIInChI=1S/C23H23F3N6O2/c24-23(25,26)20(33)29-17-7-4-8-18(13-17)30-21-27-15-28-22(31-21)32-11-9-19(10-12-32)34-14-16-5-2-1-3-6-16/h1-8,13,15,19H,9-12,14H2,(H,29,33)(H,27,28,30,31)
InChIKeyQDGXNAGZUAKUHS-UHFFFAOYSA-N
XLogP4.30
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 87499064) is 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is O=C(Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is QDGXNAGZUAKUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c24-23(25,26)20(33)29-17-7-4-8-18(13-17)30-21-27-15-28-22(31-21)32-11-9-19(10-12-32)34-14-16-5-2-1-3-6-16/h1-8,13,15,19H,9-12,14H2,(H,29,33)(H,27,28,30,31).
What are the key properties of 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 472.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 87499064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).