(3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione

C11H19N3O2 — CID 766908

IUPAC(3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESCN(C)N1C(=O)C[C@H](N2CCCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-12(2)14-10(15)8-9(11(14)16)13-6-4-3-5-7-13/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyTUAVQRLFPRFMRK-VIFPVBQESA-N
MW225.29 g/mol
LogP0.08
Rot. Bonds2

About (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione

(3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 766908) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID766908
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESCN(C)N1C(=O)C[C@H](N2CCCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-12(2)14-10(15)8-9(11(14)16)13-6-4-3-5-7-13/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyTUAVQRLFPRFMRK-VIFPVBQESA-N
XLogP0.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.08
H-Bond Donors ≤ 50
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 (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione (CID 766908) is (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione is CN(C)N1C(=O)C[C@H](N2CCCCC2)C1=O.
What is the InChIKey of (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is TUAVQRLFPRFMRK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c1-12(2)14-10(15)8-9(11(14)16)13-6-4-3-5-7-13/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione?
(3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 766908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).