ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate

C13H16N4O2 — CID 60620177

IUPACethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C13H16N4O2/c1-2-19-13(18)10-4-3-7-17(9-10)12-11(8-14)15-5-6-16-12/h5-6,10H,2-4,7,9H2,1H3
InChIKeyDFMQCPTWGBWVDW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.13
Rot. Bonds3

About ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate

ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate (PubChem CID 60620177) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate
PubChem CID60620177
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C13H16N4O2/c1-2-19-13(18)10-4-3-7-17(9-10)12-11(8-14)15-5-6-16-12/h5-6,10H,2-4,7,9H2,1H3
InChIKeyDFMQCPTWGBWVDW-UHFFFAOYSA-N
XLogP1.13
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate (CID 60620177) is ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2nccnc2C#N)C1.
What is the InChIKey of ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate?
The InChIKey is DFMQCPTWGBWVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-13(18)10-4-3-7-17(9-10)12-11(8-14)15-5-6-16-12/h5-6,10H,2-4,7,9H2,1H3.
What are the key properties of ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate?
ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyanopyrazin-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 60620177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).