2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide

C23H32N6O6 — CID 3231811

IUPAC2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
SMILESCOc1nc(OC)nc(N2CCC(NC(=O)C(Cc3cccc(OC)c3OC)NC(C)=O)CC2)n1
InChIInChI=1S/C23H32N6O6/c1-14(30)24-17(13-15-7-6-8-18(32-2)19(15)33-3)20(31)25-16-9-11-29(12-10-16)21-26-22(34-4)28-23(27-21)35-5/h6-8,16-17H,9-13H2,1-5H3,(H,24,30)(H,25,31)
InChIKeyAYSRZOREISTYGN-UHFFFAOYSA-N
MW488.55 g/mol
LogP0.74
Rot. Bonds10

About 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide

2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide (PubChem CID 3231811) has the molecular formula C23H32N6O6 and a molecular weight of 488.55 g/mol. Its IUPAC name is 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
PubChem CID3231811
Molecular FormulaC23H32N6O6
Molecular Weight488.55 g/mol
Exact Mass488.24
IUPAC Name2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
SMILESCOc1nc(OC)nc(N2CCC(NC(=O)C(Cc3cccc(OC)c3OC)NC(C)=O)CC2)n1
InChIInChI=1S/C23H32N6O6/c1-14(30)24-17(13-15-7-6-8-18(32-2)19(15)33-3)20(31)25-16-9-11-29(12-10-16)21-26-22(34-4)28-23(27-21)35-5/h6-8,16-17H,9-13H2,1-5H3,(H,24,30)(H,25,31)
InChIKeyAYSRZOREISTYGN-UHFFFAOYSA-N
XLogP0.74
TPSA137.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide (CID 3231811) is 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide is COc1nc(OC)nc(N2CCC(NC(=O)C(Cc3cccc(OC)c3OC)NC(C)=O)CC2)n1.
What is the InChIKey of 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide?
The InChIKey is AYSRZOREISTYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O6/c1-14(30)24-17(13-15-7-6-8-18(32-2)19(15)33-3)20(31)25-16-9-11-29(12-10-16)21-26-22(34-4)28-23(27-21)35-5/h6-8,16-17H,9-13H2,1-5H3,(H,24,30)(H,25,31).
What are the key properties of 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide?
2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide has a molecular weight of 488.55 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2,3-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3231811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).