3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione

C11H19N3O2 — CID 107913499

IUPAC3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione
SMILESNC1CCC(=O)N(CCN2CCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c12-9-3-4-10(15)14(11(9)16)8-7-13-5-1-2-6-13/h9H,1-8,12H2
InChIKeyUTIPQRNBPKAPJY-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.44
Rot. Bonds3

About 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione

3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione (PubChem CID 107913499) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione
PubChem CID107913499
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione
SMILESNC1CCC(=O)N(CCN2CCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c12-9-3-4-10(15)14(11(9)16)8-7-13-5-1-2-6-13/h9H,1-8,12H2
InChIKeyUTIPQRNBPKAPJY-UHFFFAOYSA-N
XLogP-0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.44
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 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione?
The IUPAC name of 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione (CID 107913499) is 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione?
The canonical SMILES for 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione is NC1CCC(=O)N(CCN2CCCC2)C1=O.
What is the InChIKey of 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione?
The InChIKey is UTIPQRNBPKAPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-9-3-4-10(15)14(11(9)16)8-7-13-5-1-2-6-13/h9H,1-8,12H2.
What are the key properties of 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione?
3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione has a molecular weight of 225.29 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione is sourced from PubChem (CID 107913499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).