4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid

C15H24N2O5 — CID 154223641

IUPAC4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid
SMILESCCOC(=O)C(C1CCN(C(=O)O)CC1)N1CCC(=O)CC1
InChIInChI=1S/C15H24N2O5/c1-2-22-14(19)13(16-9-5-12(18)6-10-16)11-3-7-17(8-4-11)15(20)21/h11,13H,2-10H2,1H3,(H,20,21)
InChIKeyAOAPJWQDLMPBKG-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.97
Rot. Bonds4

About 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid

4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid (PubChem CID 154223641) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid
PubChem CID154223641
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid
SMILESCCOC(=O)C(C1CCN(C(=O)O)CC1)N1CCC(=O)CC1
InChIInChI=1S/C15H24N2O5/c1-2-22-14(19)13(16-9-5-12(18)6-10-16)11-3-7-17(8-4-11)15(20)21/h11,13H,2-10H2,1H3,(H,20,21)
InChIKeyAOAPJWQDLMPBKG-UHFFFAOYSA-N
XLogP0.97
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
ethyl (3S)-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 59403066
ethyl 2-(4-oxocyclohexyl)butanoate
CID 121318109
1-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-one
CID 82042055
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid
CID 135312522
4-[1-[ethoxy(methyl)amino]-1-oxopropan-2-yl]piperidine-1-carboxylic acid
CID 87487604
4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
CID 67082647
4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylic acid
CID 70246318
tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate
CID 58617606

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid (CID 154223641) is 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid is CCOC(=O)C(C1CCN(C(=O)O)CC1)N1CCC(=O)CC1.
What is the InChIKey of 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid?
The InChIKey is AOAPJWQDLMPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-2-22-14(19)13(16-9-5-12(18)6-10-16)11-3-7-17(8-4-11)15(20)21/h11,13H,2-10H2,1H3,(H,20,21).
What are the key properties of 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid?
4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxy-2-oxo-1-(4-oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 154223641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).