ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate

C13H19N3O2 — CID 68603079

IUPACethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(N2CCC(N)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-7-12(9-15-8-10)16-5-3-11(14)4-6-16/h7-9,11H,2-6,14H2,1H3
InChIKeyNOCXHONXRSSJQN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds3

About ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate

ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 68603079) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
PubChem CID68603079
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(N2CCC(N)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-7-12(9-15-8-10)16-5-3-11(14)4-6-16/h7-9,11H,2-6,14H2,1H3
InChIKeyNOCXHONXRSSJQN-UHFFFAOYSA-N
XLogP1.19
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate (CID 68603079) is ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate is CCOC(=O)c1cncc(N2CCC(N)CC2)c1.
What is the InChIKey of ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is NOCXHONXRSSJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-13(17)10-7-12(9-15-8-10)16-5-3-11(14)4-6-16/h7-9,11H,2-6,14H2,1H3.
What are the key properties of ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate?
ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 68603079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).