ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate

C14H17N3O2 — CID 24704715

IUPACethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)12-4-3-7-17(10-12)13-6-5-11(8-15)9-16-13/h5-6,9,12H,2-4,7,10H2,1H3
InChIKeyHEMPVBOBQIYQGK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.73
Rot. Bonds3

About ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate

ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate (PubChem CID 24704715) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
PubChem CID24704715
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)12-4-3-7-17(10-12)13-6-5-11(8-15)9-16-13/h5-6,9,12H,2-4,7,10H2,1H3
InChIKeyHEMPVBOBQIYQGK-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

1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 1-(2-cyanophenyl)piperidine-3-carboxylate
CID 43180301
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
ethyl (3R)-1-[(4-cyanophenyl)methyl]piperidine-3-carboxylate
CID 40800844
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394
3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81046783
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
CID 66332836

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate (CID 24704715) is ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccc(C#N)cn2)C1.
What is the InChIKey of ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate?
The InChIKey is HEMPVBOBQIYQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-14(18)12-4-3-7-17(10-12)13-6-5-11(8-15)9-16-13/h5-6,9,12H,2-4,7,10H2,1H3.
What are the key properties of ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate?
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-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-(5-cyano-2-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 24704715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).