4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide

C13H20N6O2 — CID 729560

IUPAC4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O2/c14-10(20)11-15-12(18-4-2-1-3-5-18)17-13(16-11)19-6-8-21-9-7-19/h1-9H2,(H2,14,20)
InChIKeyQCRNTMCWXXAPMG-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.20
Rot. Bonds3

About 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide

4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide (PubChem CID 729560) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
PubChem CID729560
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(N2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O2/c14-10(20)11-15-12(18-4-2-1-3-5-18)17-13(16-11)19-6-8-21-9-7-19/h1-9H2,(H2,14,20)
InChIKeyQCRNTMCWXXAPMG-UHFFFAOYSA-N
XLogP-0.20
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide (CID 729560) is 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide is NC(=O)c1nc(N2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide?
The InChIKey is QCRNTMCWXXAPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c14-10(20)11-15-12(18-4-2-1-3-5-18)17-13(16-11)19-6-8-21-9-7-19/h1-9H2,(H2,14,20).
What are the key properties of 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide?
4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 729560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).