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

C14H24N6O2 — CID 2190697

IUPACN-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C14H24N6O2/c1-11(21)15-7-10-22-14-17-12(19(2)3)16-13(18-14)20-8-5-4-6-9-20/h4-10H2,1-3H3,(H,15,21)
InChIKeyDMKNBXOVQDFEFQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.44
Rot. Bonds6

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

N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 2190697) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID2190697
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C14H24N6O2/c1-11(21)15-7-10-22-14-17-12(19(2)3)16-13(18-14)20-8-5-4-6-9-20/h4-10H2,1-3H3,(H,15,21)
InChIKeyDMKNBXOVQDFEFQ-UHFFFAOYSA-N
XLogP0.44
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 2190697) is N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is CC(=O)NCCOc1nc(N(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is DMKNBXOVQDFEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-11(21)15-7-10-22-14-17-12(19(2)3)16-13(18-14)20-8-5-4-6-9-20/h4-10H2,1-3H3,(H,15,21).
What are the key properties of N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 2190697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).