2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide

C12H19ClN6O — CID 62863942

IUPAC2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
SMILESCN(C)c1nc(Cl)nc(N2CCC(CC(N)=O)CC2)n1
InChIInChI=1S/C12H19ClN6O/c1-18(2)11-15-10(13)16-12(17-11)19-5-3-8(4-6-19)7-9(14)20/h8H,3-7H2,1-2H3,(H2,14,20)
InChIKeyQZTVPJJEXPHLQQ-UHFFFAOYSA-N
MW298.78 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide

2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide (PubChem CID 62863942) has the molecular formula C12H19ClN6O and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
PubChem CID62863942
Molecular FormulaC12H19ClN6O
Molecular Weight298.78 g/mol
Exact Mass298.13
IUPAC Name2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
SMILESCN(C)c1nc(Cl)nc(N2CCC(CC(N)=O)CC2)n1
InChIInChI=1S/C12H19ClN6O/c1-18(2)11-15-10(13)16-12(17-11)19-5-3-8(4-6-19)7-9(14)20/h8H,3-7H2,1-2H3,(H2,14,20)
InChIKeyQZTVPJJEXPHLQQ-UHFFFAOYSA-N
XLogP0.68
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide (CID 62863942) is 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide is CN(C)c1nc(Cl)nc(N2CCC(CC(N)=O)CC2)n1.
What is the InChIKey of 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is QZTVPJJEXPHLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6O/c1-18(2)11-15-10(13)16-12(17-11)19-5-3-8(4-6-19)7-9(14)20/h8H,3-7H2,1-2H3,(H2,14,20).
What are the key properties of 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 298.78 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 62863942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).