ethyl 2-(2-cyanopiperidin-1-yl)butanoate

C12H20N2O2 — CID 64661949

IUPACethyl 2-(2-cyanopiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCCC1C#N
InChIInChI=1S/C12H20N2O2/c1-3-11(12(15)16-4-2)14-8-6-5-7-10(14)9-13/h10-11H,3-8H2,1-2H3
InChIKeyRIDMVFBBRSLJAL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.71
Rot. Bonds4

About ethyl 2-(2-cyanopiperidin-1-yl)butanoate

ethyl 2-(2-cyanopiperidin-1-yl)butanoate (PubChem CID 64661949) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 2-(2-cyanopiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-cyanopiperidin-1-yl)butanoate
PubChem CID64661949
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 2-(2-cyanopiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCCC1C#N
InChIInChI=1S/C12H20N2O2/c1-3-11(12(15)16-4-2)14-8-6-5-7-10(14)9-13/h10-11H,3-8H2,1-2H3
InChIKeyRIDMVFBBRSLJAL-UHFFFAOYSA-N
XLogP1.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-cyanopiperidin-1-yl)butanoate
CID 12957470
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609
ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
CID 64662882
ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate
CID 64663491
ethyl 2-[2-(2-oxopropyl)azepan-1-yl]butanoate
CID 79560859
ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 64662468
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
CID 64663187
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
trans-ethyl (1R,2S)-2-cyanocyclohexane-1-carboxylate
CID 71407745
ethyl 2-(4-carbamothioylpiperidin-1-yl)butanoate
CID 64662354
ethyl 1-(1-ethoxy-1-oxobutan-2-yl)piperidine-3-carboxylate
CID 64663416
ethyl (2R)-2-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]butanoate
CID 124776571

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyanopiperidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(2-cyanopiperidin-1-yl)butanoate (CID 64661949) is ethyl 2-(2-cyanopiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-cyanopiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(2-cyanopiperidin-1-yl)butanoate is CCOC(=O)C(CC)N1CCCCC1C#N.
What is the InChIKey of ethyl 2-(2-cyanopiperidin-1-yl)butanoate?
The InChIKey is RIDMVFBBRSLJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11(12(15)16-4-2)14-8-6-5-7-10(14)9-13/h10-11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(2-cyanopiperidin-1-yl)butanoate?
ethyl 2-(2-cyanopiperidin-1-yl)butanoate has a molecular weight of 224.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyanopiperidin-1-yl)butanoate is sourced from PubChem (CID 64661949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).