ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate

C14H23N3O3 — CID 43213986

IUPACethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C14H23N3O3/c1-3-20-14(19)12-5-9-17(10-6-12)11-13(18)16(2)8-4-7-15/h12H,3-6,8-11H2,1-2H3
InChIKeyRTEKUTBAEPDHGJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.63
Rot. Bonds6

About ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 43213986) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID43213986
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C14H23N3O3/c1-3-20-14(19)12-5-9-17(10-6-12)11-13(18)16(2)8-4-7-15/h12H,3-6,8-11H2,1-2H3
InChIKeyRTEKUTBAEPDHGJ-UHFFFAOYSA-N
XLogP0.63
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 34681202
ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 113231239
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869
N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
CID 63160697
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
ethyl 1-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 78787338
N-(2-cyanoethyl)-N-methyl-2-(3-propoxypiperidin-1-yl)acetamide
CID 54985060
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975233

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate (CID 43213986) is ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)N(C)CCC#N)CC1.
What is the InChIKey of ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is RTEKUTBAEPDHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-20-14(19)12-5-9-17(10-6-12)11-13(18)16(2)8-4-7-15/h12H,3-6,8-11H2,1-2H3.
What are the key properties of ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 43213986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).