N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide

C24H27FN6O2 — CID 53362440

IUPACN-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4cccc(F)c4)CC3)n2)c1C
InChIInChI=1S/C24H27FN6O2/c1-16-21(28-17(2)32)7-4-8-22(16)29-23-26-15-27-24(30-23)31-11-9-20(10-12-31)33-14-18-5-3-6-19(25)13-18/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,28,32)(H,26,27,29,30)
InChIKeyDMXPCLBXYJJBLY-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.21
Rot. Bonds7

About N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide

N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (PubChem CID 53362440) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
PubChem CID53362440
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC NameN-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4cccc(F)c4)CC3)n2)c1C
InChIInChI=1S/C24H27FN6O2/c1-16-21(28-17(2)32)7-4-8-22(16)29-23-26-15-27-24(30-23)31-11-9-20(10-12-31)33-14-18-5-3-6-19(25)13-18/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,28,32)(H,26,27,29,30)
InChIKeyDMXPCLBXYJJBLY-UHFFFAOYSA-N
XLogP4.21
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.21
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-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (CID 53362440) is N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4cccc(F)c4)CC3)n2)c1C.
What is the InChIKey of N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The InChIKey is DMXPCLBXYJJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-16-21(28-17(2)32)7-4-8-22(16)29-23-26-15-27-24(30-23)31-11-9-20(10-12-31)33-14-18-5-3-6-19(25)13-18/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,28,32)(H,26,27,29,30).
What are the key properties of N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 450.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 53362440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).