ethyl 3-cyano-2-piperidin-1-ylpropanoate

C11H18N2O2 — CID 67354735

IUPACethyl 3-cyano-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(CC#N)N1CCCCC1
InChIInChI=1S/C11H18N2O2/c1-2-15-11(14)10(6-7-12)13-8-4-3-5-9-13/h10H,2-6,8-9H2,1H3
InChIKeyHDQOXGQSBRQNBW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.32
Rot. Bonds4

About ethyl 3-cyano-2-piperidin-1-ylpropanoate

ethyl 3-cyano-2-piperidin-1-ylpropanoate (PubChem CID 67354735) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 3-cyano-2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-cyano-2-piperidin-1-ylpropanoate
PubChem CID67354735
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 3-cyano-2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(CC#N)N1CCCCC1
InChIInChI=1S/C11H18N2O2/c1-2-15-11(14)10(6-7-12)13-8-4-3-5-9-13/h10H,2-6,8-9H2,1H3
InChIKeyHDQOXGQSBRQNBW-UHFFFAOYSA-N
XLogP1.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 3-cyano-2-piperidin-1-ylpropanoate (CID 67354735) is ethyl 3-cyano-2-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 3-cyano-2-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 3-cyano-2-piperidin-1-ylpropanoate is CCOC(=O)C(CC#N)N1CCCCC1.
What is the InChIKey of ethyl 3-cyano-2-piperidin-1-ylpropanoate?
The InChIKey is HDQOXGQSBRQNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-15-11(14)10(6-7-12)13-8-4-3-5-9-13/h10H,2-6,8-9H2,1H3.
What are the key properties of ethyl 3-cyano-2-piperidin-1-ylpropanoate?
ethyl 3-cyano-2-piperidin-1-ylpropanoate has a molecular weight of 210.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-piperidin-1-ylpropanoate is sourced from PubChem (CID 67354735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).