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

C22H30N6OS — CID 1252650

IUPAC2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H30N6OS/c1-17-10-4-5-11-18(17)23-19(29)16-30-22-25-20(27-12-6-2-7-13-27)24-21(26-22)28-14-8-3-9-15-28/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,23,29)
InChIKeyBHXRRDHXJFDYJH-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.89
Rot. Bonds6

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

2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 1252650) has the molecular formula C22H30N6OS and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID1252650
Molecular FormulaC22H30N6OS
Molecular Weight426.59 g/mol
Exact Mass426.22
IUPAC Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H30N6OS/c1-17-10-4-5-11-18(17)23-19(29)16-30-22-25-20(27-12-6-2-7-13-27)24-21(26-22)28-14-8-3-9-15-28/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,23,29)
InChIKeyBHXRRDHXJFDYJH-UHFFFAOYSA-N
XLogP3.89
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.89
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-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide (CID 1252650) is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is BHXRRDHXJFDYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6OS/c1-17-10-4-5-11-18(17)23-19(29)16-30-22-25-20(27-12-6-2-7-13-27)24-21(26-22)28-14-8-3-9-15-28/h4-5,10-11H,2-3,6-9,12-16H2,1H3,(H,23,29).
What are the key properties of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 426.59 g/mol, XLogP of 3.89, 6 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 1252650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).