ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate

C15H20N2O4 — CID 78791788

IUPACethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C15H20N2O4/c1-2-21-15(20)12-6-9-16(10-7-12)14(19)11-17-8-4-3-5-13(17)18/h3-5,8,12H,2,6-7,9-11H2,1H3
InChIKeyBLWLKFQZUZCRAY-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.65
Rot. Bonds4

About ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate (PubChem CID 78791788) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
PubChem CID78791788
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C15H20N2O4/c1-2-21-15(20)12-6-9-16(10-7-12)14(19)11-17-8-4-3-5-13(17)18/h3-5,8,12H,2,6-7,9-11H2,1H3
InChIKeyBLWLKFQZUZCRAY-UHFFFAOYSA-N
XLogP0.65
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate
CID 46356947
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CID 122246383
ethyl 1-[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]piperidine-4-carboxylate
CID 100742059
ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
CID 29139436
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
ethyl 1-[3-(2-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperidine-4-carboxylate
CID 46342918
ethyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 8931140
ethyl 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
N-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]benzamide
CID 24645620
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate (CID 78791788) is ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2ccccc2=O)CC1.
What is the InChIKey of ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate?
The InChIKey is BLWLKFQZUZCRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-21-15(20)12-6-9-16(10-7-12)14(19)11-17-8-4-3-5-13(17)18/h3-5,8,12H,2,6-7,9-11H2,1H3.
What are the key properties of ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 78791788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).