1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid

C15H22N2O4 — CID 43638754

IUPAC1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H22N2O4/c18-13-9-12(14(19)17(13)10-5-1-2-6-10)16-8-4-3-7-11(16)15(20)21/h10-12H,1-9H2,(H,20,21)
InChIKeyCWAFWPJFLVLQRF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.00
Rot. Bonds3

About 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid

1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (PubChem CID 43638754) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
PubChem CID43638754
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H22N2O4/c18-13-9-12(14(19)17(13)10-5-1-2-6-10)16-8-4-3-7-11(16)15(20)21/h10-12H,1-9H2,(H,20,21)
InChIKeyCWAFWPJFLVLQRF-UHFFFAOYSA-N
XLogP1.00
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid (CID 43638754) is 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
The InChIKey is CWAFWPJFLVLQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13-9-12(14(19)17(13)10-5-1-2-6-10)16-8-4-3-7-11(16)15(20)21/h10-12H,1-9H2,(H,20,21).
What are the key properties of 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid?
1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43638754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).