1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione

C13H23N3O2 — CID 65298175

IUPAC1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(C2CCN(CCN)CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-13(2)9-11(17)16(12(13)18)10-3-6-15(7-4-10)8-5-14/h10H,3-9,14H2,1-2H3
InChIKeyRDNQKRZTYMBAKZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds3

About 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione

1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65298175) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65298175
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(C2CCN(CCN)CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-13(2)9-11(17)16(12(13)18)10-3-6-15(7-4-10)8-5-14/h10H,3-9,14H2,1-2H3
InChIKeyRDNQKRZTYMBAKZ-UHFFFAOYSA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
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-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione (CID 65298175) is 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(C2CCN(CCN)CC2)C1=O.
What is the InChIKey of 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is RDNQKRZTYMBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2)9-11(17)16(12(13)18)10-3-6-15(7-4-10)8-5-14/h10H,3-9,14H2,1-2H3.
What are the key properties of 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 253.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65298175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).