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

C16H26N6O3 — CID 2229475

IUPACN-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H26N6O3/c1-13(23)17-5-10-25-16-19-14(21-6-3-2-4-7-21)18-15(20-16)22-8-11-24-12-9-22/h2-12H2,1H3,(H,17,23)
InChIKeyCDGRUNVBSHUACI-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.21
Rot. Bonds6

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

N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (PubChem CID 2229475) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
PubChem CID2229475
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC NameN-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H26N6O3/c1-13(23)17-5-10-25-16-19-14(21-6-3-2-4-7-21)18-15(20-16)22-8-11-24-12-9-22/h2-12H2,1H3,(H,17,23)
InChIKeyCDGRUNVBSHUACI-UHFFFAOYSA-N
XLogP0.21
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The IUPAC name of N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (CID 2229475) is N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is CC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The InChIKey is CDGRUNVBSHUACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-13(23)17-5-10-25-16-19-14(21-6-3-2-4-7-21)18-15(20-16)22-8-11-24-12-9-22/h2-12H2,1H3,(H,17,23).
What are the key properties of N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 2229475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).