4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid

C12H19NO5 — CID 3612040

IUPAC4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCCOC(=O)C1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C12H19NO5/c1-2-18-12(17)9-5-7-13(8-6-9)10(14)3-4-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyZCKHTUJRMRHLAH-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.65
Rot. Bonds5

About 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid

4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 3612040) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID3612040
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCCOC(=O)C1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C12H19NO5/c1-2-18-12(17)9-5-7-13(8-6-9)10(14)3-4-11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyZCKHTUJRMRHLAH-UHFFFAOYSA-N
XLogP0.65
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-Methyl-2-oxopiperidine-4-carboxylic acid
CID 22265446

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid (CID 3612040) is 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid is CCOC(=O)C1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is ZCKHTUJRMRHLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-2-18-12(17)9-5-7-13(8-6-9)10(14)3-4-11(15)16/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid?
4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 257.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 3612040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).