ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate

C13H22N6O2 — CID 80795492

IUPACethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O2/c1-2-21-10(20)6-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-9-19/h2-9H2,1H3,(H3,14,15,16,17,18)
InChIKeyHRWQJNFNBBPCIB-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.81
Rot. Bonds6

About ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate

ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate (PubChem CID 80795492) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate
PubChem CID80795492
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Nameethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O2/c1-2-21-10(20)6-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-9-19/h2-9H2,1H3,(H3,14,15,16,17,18)
InChIKeyHRWQJNFNBBPCIB-UHFFFAOYSA-N
XLogP0.81
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate (CID 80795492) is ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate is CCOC(=O)CCNc1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate?
The InChIKey is HRWQJNFNBBPCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-2-21-10(20)6-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-9-19/h2-9H2,1H3,(H3,14,15,16,17,18).
What are the key properties of ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate?
ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate has a molecular weight of 294.36 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate is sourced from PubChem (CID 80795492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).