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

C25H30N6O3 — CID 53362557

IUPACN-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCOc1ccc(COC2CCN(c3ncnc(Nc4cccc(NC(C)=O)c4C)n3)CC2)cc1
InChIInChI=1S/C25H30N6O3/c1-17-22(28-18(2)32)5-4-6-23(17)29-24-26-16-27-25(30-24)31-13-11-21(12-14-31)34-15-19-7-9-20(33-3)10-8-19/h4-10,16,21H,11-15H2,1-3H3,(H,28,32)(H,26,27,29,30)
InChIKeyVFZIAHIGUJIRIA-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.08
Rot. Bonds8

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

N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (PubChem CID 53362557) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
PubChem CID53362557
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCOc1ccc(COC2CCN(c3ncnc(Nc4cccc(NC(C)=O)c4C)n3)CC2)cc1
InChIInChI=1S/C25H30N6O3/c1-17-22(28-18(2)32)5-4-6-23(17)29-24-26-16-27-25(30-24)31-13-11-21(12-14-31)34-15-19-7-9-20(33-3)10-8-19/h4-10,16,21H,11-15H2,1-3H3,(H,28,32)(H,26,27,29,30)
InChIKeyVFZIAHIGUJIRIA-UHFFFAOYSA-N
XLogP4.08
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (CID 53362557) is N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is COc1ccc(COC2CCN(c3ncnc(Nc4cccc(NC(C)=O)c4C)n3)CC2)cc1.
What is the InChIKey of N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The InChIKey is VFZIAHIGUJIRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-17-22(28-18(2)32)5-4-6-23(17)29-24-26-16-27-25(30-24)31-13-11-21(12-14-31)34-15-19-7-9-20(33-3)10-8-19/h4-10,16,21H,11-15H2,1-3H3,(H,28,32)(H,26,27,29,30).
What are the key properties of N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 462.55 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-[(4-methoxyphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 53362557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).