N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide

C23H30N6O2S — CID 1252665

IUPACN-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H30N6O2S/c1-17(30)18-9-8-10-19(15-18)24-20(31)16-32-23-26-21(28-11-4-2-5-12-28)25-22(27-23)29-13-6-3-7-14-29/h8-10,15H,2-7,11-14,16H2,1H3,(H,24,31)
InChIKeyFFZUSEUDGXQUGA-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.79
Rot. Bonds7

About N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide

N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 1252665) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID1252665
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC NameN-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H30N6O2S/c1-17(30)18-9-8-10-19(15-18)24-20(31)16-32-23-26-21(28-11-4-2-5-12-28)25-22(27-23)29-13-6-3-7-14-29/h8-10,15H,2-7,11-14,16H2,1H3,(H,24,31)
InChIKeyFFZUSEUDGXQUGA-UHFFFAOYSA-N
XLogP3.79
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 1252665) is N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CC(=O)c1cccc(NC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is FFZUSEUDGXQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c1-17(30)18-9-8-10-19(15-18)24-20(31)16-32-23-26-21(28-11-4-2-5-12-28)25-22(27-23)29-13-6-3-7-14-29/h8-10,15H,2-7,11-14,16H2,1H3,(H,24,31).
What are the key properties of N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 454.60 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1252665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).