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

C17H22N6O2 — CID 53363030

IUPACN-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCOC1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)CC1
InChIInChI=1S/C17H22N6O2/c1-12(24)20-13-4-3-5-14(10-13)21-16-18-11-19-17(22-16)23-8-6-15(25-2)7-9-23/h3-5,10-11,15H,6-9H2,1-2H3,(H,20,24)(H,18,19,21,22)
InChIKeySVRVOJYAOQTIMN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.19
Rot. Bonds5

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

N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53363030) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53363030
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCOC1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)CC1
InChIInChI=1S/C17H22N6O2/c1-12(24)20-13-4-3-5-14(10-13)21-16-18-11-19-17(22-16)23-8-6-15(25-2)7-9-23/h3-5,10-11,15H,6-9H2,1-2H3,(H,20,24)(H,18,19,21,22)
InChIKeySVRVOJYAOQTIMN-UHFFFAOYSA-N
XLogP2.19
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.19
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-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 53363030) is N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is COC1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)CC1.
What is the InChIKey of N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is SVRVOJYAOQTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(24)20-13-4-3-5-14(10-13)21-16-18-11-19-17(22-16)23-8-6-15(25-2)7-9-23/h3-5,10-11,15H,6-9H2,1-2H3,(H,20,24)(H,18,19,21,22).
What are the key properties of N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53363030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).