ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate

C13H21N5O4 — CID 976805

IUPACethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(OC)nc(OC)n2)CC1
InChIInChI=1S/C13H21N5O4/c1-4-22-13(19)18-7-5-9(6-8-18)14-10-15-11(20-2)17-12(16-10)21-3/h9H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyJIVCGTZMRDHEGT-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.92
Rot. Bonds5

About ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 976805) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID976805
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Nameethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(OC)nc(OC)n2)CC1
InChIInChI=1S/C13H21N5O4/c1-4-22-13(19)18-7-5-9(6-8-18)14-10-15-11(20-2)17-12(16-10)21-3/h9H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyJIVCGTZMRDHEGT-UHFFFAOYSA-N
XLogP0.92
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (CID 976805) is ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(OC)nc(OC)n2)CC1.
What is the InChIKey of ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is JIVCGTZMRDHEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4/c1-4-22-13(19)18-7-5-9(6-8-18)14-10-15-11(20-2)17-12(16-10)21-3/h9H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 976805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).