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

C14H17N3O2 — CID 62492327

IUPACethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)11-4-7-17(8-5-11)13-3-6-16-12(9-13)10-15/h3,6,9,11H,2,4-5,7-8H2,1H3
InChIKeyVKPZITMFJOIRAI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.73
Rot. Bonds3

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

ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate (PubChem CID 62492327) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
PubChem CID62492327
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)11-4-7-17(8-5-11)13-3-6-16-12(9-13)10-15/h3,6,9,11H,2,4-5,7-8H2,1H3
InChIKeyVKPZITMFJOIRAI-UHFFFAOYSA-N
XLogP1.73
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
CID 62924471
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylate
CID 162681755
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994
ethyl 1-(4-amino-2-cyanophenyl)piperidine-4-carboxylate
CID 22227900
ethyl 1-(2-cyano-5-fluorophenyl)piperidine-4-carboxylate
CID 171316298
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate
CID 63083153

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate (CID 62492327) is ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccnc(C#N)c2)CC1.
What is the InChIKey of ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate?
The InChIKey is VKPZITMFJOIRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-14(18)11-4-7-17(8-5-11)13-3-6-16-12(9-13)10-15/h3,6,9,11H,2,4-5,7-8H2,1H3.
What are the key properties of ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate?
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 62492327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).