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

C22H24N6O2 — CID 53362168

IUPACN-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O2/c1-16(29)25-17-6-5-7-18(14-17)26-21-23-15-24-22(27-21)28-12-10-20(11-13-28)30-19-8-3-2-4-9-19/h2-9,14-15,20H,10-13H2,1H3,(H,25,29)(H,23,24,26,27)
InChIKeyAQLRCNISGHHQBC-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.62
Rot. Bonds6

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

N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53362168) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53362168
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O2/c1-16(29)25-17-6-5-7-18(14-17)26-21-23-15-24-22(27-21)28-12-10-20(11-13-28)30-19-8-3-2-4-9-19/h2-9,14-15,20H,10-13H2,1H3,(H,25,29)(H,23,24,26,27)
InChIKeyAQLRCNISGHHQBC-UHFFFAOYSA-N
XLogP3.62
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 53362168) is N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4)CC3)n2)c1.
What is the InChIKey of N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is AQLRCNISGHHQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-16(29)25-17-6-5-7-18(14-17)26-21-23-15-24-22(27-21)28-12-10-20(11-13-28)30-19-8-3-2-4-9-19/h2-9,14-15,20H,10-13H2,1H3,(H,25,29)(H,23,24,26,27).
What are the key properties of N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53362168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).