1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide

C17H27N7O3 — CID 42065575

IUPAC1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H27N7O3/c18-14(25)13-1-3-22(4-2-13)15-19-16(23-5-9-26-10-6-23)21-17(20-15)24-7-11-27-12-8-24/h13H,1-12H2,(H2,18,25)
InChIKeyZNPOQGIYOGKYFB-UHFFFAOYSA-N
MW377.45 g/mol
LogP-0.75
Rot. Bonds4

About 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide

1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide (PubChem CID 42065575) has the molecular formula C17H27N7O3 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
PubChem CID42065575
Molecular FormulaC17H27N7O3
Molecular Weight377.45 g/mol
Exact Mass377.22
IUPAC Name1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H27N7O3/c18-14(25)13-1-3-22(4-2-13)15-19-16(23-5-9-26-10-6-23)21-17(20-15)24-7-11-27-12-8-24/h13H,1-12H2,(H2,18,25)
InChIKeyZNPOQGIYOGKYFB-UHFFFAOYSA-N
XLogP-0.75
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide (CID 42065575) is 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The InChIKey is ZNPOQGIYOGKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O3/c18-14(25)13-1-3-22(4-2-13)15-19-16(23-5-9-26-10-6-23)21-17(20-15)24-7-11-27-12-8-24/h13H,1-12H2,(H2,18,25).
What are the key properties of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42065575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).