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

C12H18ClN5O2 — CID 948154

IUPACethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18ClN5O2/c1-2-20-9(19)8-14-11-15-10(13)16-12(17-11)18-6-4-3-5-7-18/h2-8H2,1H3,(H,14,15,16,17)
InChIKeyNWFNSNMRKVQOFX-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.49
Rot. Bonds5

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

ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate (PubChem CID 948154) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate
PubChem CID948154
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Nameethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18ClN5O2/c1-2-20-9(19)8-14-11-15-10(13)16-12(17-11)18-6-4-3-5-7-18/h2-8H2,1H3,(H,14,15,16,17)
InChIKeyNWFNSNMRKVQOFX-UHFFFAOYSA-N
XLogP1.49
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate (CID 948154) is ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate is CCOC(=O)CNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate?
The InChIKey is NWFNSNMRKVQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-2-20-9(19)8-14-11-15-10(13)16-12(17-11)18-6-4-3-5-7-18/h2-8H2,1H3,(H,14,15,16,17).
What are the key properties of ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate?
ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate has a molecular weight of 299.76 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate is sourced from PubChem (CID 948154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).