ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate

C15H19N3O2 — CID 114765903

IUPACethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(C#N)cc(C)n1
InChIInChI=1S/C15H19N3O2/c1-3-20-15(19)13-6-4-5-7-18(13)14-9-12(10-16)8-11(2)17-14/h8-9,13H,3-7H2,1-2H3
InChIKeyHFSORPIJYCGWAG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.18
Rot. Bonds3

About ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate

ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate (PubChem CID 114765903) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate
PubChem CID114765903
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(C#N)cc(C)n1
InChIInChI=1S/C15H19N3O2/c1-3-20-15(19)13-6-4-5-7-18(13)14-9-12(10-16)8-11(2)17-14/h8-9,13H,3-7H2,1-2H3
InChIKeyHFSORPIJYCGWAG-UHFFFAOYSA-N
XLogP2.18
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate (CID 114765903) is ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1cc(C#N)cc(C)n1.
What is the InChIKey of ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate?
The InChIKey is HFSORPIJYCGWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-15(19)13-6-4-5-7-18(13)14-9-12(10-16)8-11(2)17-14/h8-9,13H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate?
ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate is sourced from PubChem (CID 114765903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).