1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide

C13H22N6O2 — CID 80729142

IUPAC1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCCNc1nc(OCC)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H22N6O2/c1-3-15-11-16-12(18-13(17-11)21-4-2)19-7-5-9(6-8-19)10(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,16,17,18)
InChIKeyYBWUFTHMRMKION-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.40
Rot. Bonds6

About 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide

1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide (PubChem CID 80729142) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
PubChem CID80729142
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCCNc1nc(OCC)nc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H22N6O2/c1-3-15-11-16-12(18-13(17-11)21-4-2)19-7-5-9(6-8-19)10(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,16,17,18)
InChIKeyYBWUFTHMRMKION-UHFFFAOYSA-N
XLogP0.40
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide (CID 80729142) is 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide is CCNc1nc(OCC)nc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The InChIKey is YBWUFTHMRMKION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-15-11-16-12(18-13(17-11)21-4-2)19-7-5-9(6-8-19)10(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,16,17,18).
What are the key properties of 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80729142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).