1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid

C18H22N2O5 — CID 6471615

IUPAC1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
SMILESCCOc1ccccc1N1C(=O)CC(N2CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C18H22N2O5/c1-2-25-15-6-4-3-5-13(15)20-16(21)11-14(17(20)22)19-9-7-12(8-10-19)18(23)24/h3-6,12,14H,2,7-11H2,1H3,(H,23,24)
InChIKeyBHJAYXCIEJPRPY-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.51
Rot. Bonds5

About 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid

1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid (PubChem CID 6471615) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
PubChem CID6471615
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
SMILESCCOc1ccccc1N1C(=O)CC(N2CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C18H22N2O5/c1-2-25-15-6-4-3-5-13(15)20-16(21)11-14(17(20)22)19-9-7-12(8-10-19)18(23)24/h3-6,12,14H,2,7-11H2,1H3,(H,23,24)
InChIKeyBHJAYXCIEJPRPY-UHFFFAOYSA-N
XLogP1.51
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 2856113
CID 2856113
CID 3994476
CID 3994476
CID 44390756
CID 44390756
CID 2732613
CID 2732613
CID 2859218
CID 2859218
CID 2941796
CID 2941796
CID 2956602
CID 2956602
CID 2813459
CID 2813459
CID 3740692
CID 3740692
CID 6457883
CID 6457883
CID 6458630
CID 6458630
CID 6459126
CID 6459126

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid (CID 6471615) is 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid is CCOc1ccccc1N1C(=O)CC(N2CCC(C(=O)O)CC2)C1=O.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid?
The InChIKey is BHJAYXCIEJPRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-2-25-15-6-4-3-5-13(15)20-16(21)11-14(17(20)22)19-9-7-12(8-10-19)18(23)24/h3-6,12,14H,2,7-11H2,1H3,(H,23,24).
What are the key properties of 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid?
1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 6471615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).