3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C12H22N4O2 — CID 43556669

IUPAC3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC(N)CC2)C1=O
InChIInChI=1S/C12H22N4O2/c1-12(2)10(17)16(11(18)14-12)8-7-15-5-3-9(13)4-6-15/h9H,3-8,13H2,1-2H3,(H,14,18)
InChIKeyXADRXFKBRSZOPI-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.26
Rot. Bonds3

About 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43556669) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43556669
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC(N)CC2)C1=O
InChIInChI=1S/C12H22N4O2/c1-12(2)10(17)16(11(18)14-12)8-7-15-5-3-9(13)4-6-15/h9H,3-8,13H2,1-2H3,(H,14,18)
InChIKeyXADRXFKBRSZOPI-UHFFFAOYSA-N
XLogP-0.26
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43556669) is 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCC(N)CC2)C1=O.
What is the InChIKey of 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XADRXFKBRSZOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2)10(17)16(11(18)14-12)8-7-15-5-3-9(13)4-6-15/h9H,3-8,13H2,1-2H3,(H,14,18).
What are the key properties of 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43556669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).