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

C23H32N6OS — CID 1266325

IUPAC2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C23H32N6OS/c1-18-8-10-19(11-9-18)16-24-20(30)17-31-23-26-21(28-12-4-2-5-13-28)25-22(27-23)29-14-6-3-7-15-29/h8-11H,2-7,12-17H2,1H3,(H,24,30)
InChIKeyPRELNDLEHGZOCA-UHFFFAOYSA-N
MW440.62 g/mol
LogP3.57
Rot. Bonds7

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

2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1266325) has the molecular formula C23H32N6OS and a molecular weight of 440.62 g/mol. Its IUPAC name is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1266325
Molecular FormulaC23H32N6OS
Molecular Weight440.62 g/mol
Exact Mass440.24
IUPAC Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C23H32N6OS/c1-18-8-10-19(11-9-18)16-24-20(30)17-31-23-26-21(28-12-4-2-5-13-28)25-22(27-23)29-14-6-3-7-15-29/h8-11H,2-7,12-17H2,1H3,(H,24,30)
InChIKeyPRELNDLEHGZOCA-UHFFFAOYSA-N
XLogP3.57
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (CID 1266325) is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PRELNDLEHGZOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6OS/c1-18-8-10-19(11-9-18)16-24-20(30)17-31-23-26-21(28-12-4-2-5-13-28)25-22(27-23)29-14-6-3-7-15-29/h8-11H,2-7,12-17H2,1H3,(H,24,30).
What are the key properties of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 440.62 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1266325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).