4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid

C15H18N2O4 — CID 70242901

IUPAC4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid
SMILESCCCN1C(=O)CC(c2ccc(N)cc2)C(C(=O)O)C1=O
InChIInChI=1S/C15H18N2O4/c1-2-7-17-12(18)8-11(13(14(17)19)15(20)21)9-3-5-10(16)6-4-9/h3-6,11,13H,2,7-8,16H2,1H3,(H,20,21)
InChIKeyURHJLYOYUYMELX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.22
Rot. Bonds4

About 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid

4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid (PubChem CID 70242901) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid
PubChem CID70242901
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid
SMILESCCCN1C(=O)CC(c2ccc(N)cc2)C(C(=O)O)C1=O
InChIInChI=1S/C15H18N2O4/c1-2-7-17-12(18)8-11(13(14(17)19)15(20)21)9-3-5-10(16)6-4-9/h3-6,11,13H,2,7-8,16H2,1H3,(H,20,21)
InChIKeyURHJLYOYUYMELX-UHFFFAOYSA-N
XLogP1.22
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[6-(4-aminophenyl)hexyl]-1-propylpyrrolidine-2,5-dione
CID 10087145
1-(4-aminophenyl)-3-propyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 14068936
(3S,4R)-4-(4-aminophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99986899
3-(4-amino-2-bromophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione
CID 82840847
1-[2-(4-fluorophenyl)ethyl]-4-methyl-2,6-dioxopiperidine-3-carboxylic acid
CID 22350224
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
1-(2,5-dioxo-1-propylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 43638751
3-(2-amino-4-fluorophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione
CID 43638600
2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 104823672
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione
CID 10061844
3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione
CID 61296236

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid?
The IUPAC name of 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid (CID 70242901) is 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid is CCCN1C(=O)CC(c2ccc(N)cc2)C(C(=O)O)C1=O.
What is the InChIKey of 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid?
The InChIKey is URHJLYOYUYMELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-7-17-12(18)8-11(13(14(17)19)15(20)21)9-3-5-10(16)6-4-9/h3-6,11,13H,2,7-8,16H2,1H3,(H,20,21).
What are the key properties of 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid?
4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,6-dioxo-1-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 70242901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).