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

C17H28N6O2 — CID 2186428

IUPACN-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H28N6O2/c1-14(24)18-8-13-25-17-20-15(22-9-4-2-5-10-22)19-16(21-17)23-11-6-3-7-12-23/h2-13H2,1H3,(H,18,24)
InChIKeyFLGVVPMTFCMQEP-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.37
Rot. Bonds6

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

N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 2186428) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID2186428
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H28N6O2/c1-14(24)18-8-13-25-17-20-15(22-9-4-2-5-10-22)19-16(21-17)23-11-6-3-7-12-23/h2-13H2,1H3,(H,18,24)
InChIKeyFLGVVPMTFCMQEP-UHFFFAOYSA-N
XLogP1.37
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.37
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-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 2186428) is N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is CC(=O)NCCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is FLGVVPMTFCMQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-14(24)18-8-13-25-17-20-15(22-9-4-2-5-10-22)19-16(21-17)23-11-6-3-7-12-23/h2-13H2,1H3,(H,18,24).
What are the key properties of N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 2186428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).