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

C23H26N6O2 — CID 53362214

IUPACN-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1C
InChIInChI=1S/C23H26N6O2/c1-16-20(26-17(2)30)9-6-10-21(16)27-22-24-15-25-23(28-22)29-13-11-19(12-14-29)31-18-7-4-3-5-8-18/h3-10,15,19H,11-14H2,1-2H3,(H,26,30)(H,24,25,27,28)
InChIKeyDZXKVXJDTRYAHP-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.93
Rot. Bonds6

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

N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53362214) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53362214
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1C
InChIInChI=1S/C23H26N6O2/c1-16-20(26-17(2)30)9-6-10-21(16)27-22-24-15-25-23(28-22)29-13-11-19(12-14-29)31-18-7-4-3-5-8-18/h3-10,15,19H,11-14H2,1-2H3,(H,26,30)(H,24,25,27,28)
InChIKeyDZXKVXJDTRYAHP-UHFFFAOYSA-N
XLogP3.93
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 53362214) is N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1C.
What is the InChIKey of N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is DZXKVXJDTRYAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-20(26-17(2)30)9-6-10-21(16)27-22-24-15-25-23(28-22)29-13-11-19(12-14-29)31-18-7-4-3-5-8-18/h3-10,15,19H,11-14H2,1-2H3,(H,26,30)(H,24,25,27,28).
What are the key properties of N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53362214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).