ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate

C13H19N3O2 — CID 11357119

IUPACethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-6-11(7-10-16)15-12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,14,15)
InChIKeyLIKFZBWZGQWAMR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.11
Rot. Bonds3

About ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate

ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate (PubChem CID 11357119) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate
PubChem CID11357119
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-6-11(7-10-16)15-12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,14,15)
InChIKeyLIKFZBWZGQWAMR-UHFFFAOYSA-N
XLogP2.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate (CID 11357119) is ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccccn2)CC1.
What is the InChIKey of ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate?
The InChIKey is LIKFZBWZGQWAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-13(17)16-9-6-11(7-10-16)15-12-5-3-4-8-14-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,14,15).
What are the key properties of ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate?
ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 11357119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).