1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C17H19N3O5 — CID 108874824

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C17H19N3O5/c21-14-12-3-1-2-4-13(12)15(22)20(14)10-7-18-17(25)19-8-5-11(6-9-19)16(23)24/h1-4,11H,5-10H2,(H,18,25)(H,23,24)
InChIKeyFMHIAAANBMGFKN-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.79
Rot. Bonds4

About 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 108874824) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID108874824
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C17H19N3O5/c21-14-12-3-1-2-4-13(12)15(22)20(14)10-7-18-17(25)19-8-5-11(6-9-19)16(23)24/h1-4,11H,5-10H2,(H,18,25)(H,23,24)
InChIKeyFMHIAAANBMGFKN-UHFFFAOYSA-N
XLogP0.79
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
CID 108875035
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122001108
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836697
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941
2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 51323644
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722785
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide
CID 108889482
1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122003126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 108874824) is 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is FMHIAAANBMGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-14-12-3-1-2-4-13(12)15(22)20(14)10-7-18-17(25)19-8-5-11(6-9-19)16(23)24/h1-4,11H,5-10H2,(H,18,25)(H,23,24).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 108874824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).