5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C15H26N4O3 — CID 119809903

IUPAC5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCC(C)C(N)C(=O)N1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C15H26N4O3/c1-4-9(2)11(16)12(20)19-7-5-10(6-8-19)15(3)13(21)17-14(22)18-15/h9-11H,4-8,16H2,1-3H3,(H2,17,18,21,22)
InChIKeyPEIXDXBCDVWBOA-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.20
Rot. Bonds4

About 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 119809903) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID119809903
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCC(C)C(N)C(=O)N1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C15H26N4O3/c1-4-9(2)11(16)12(20)19-7-5-10(6-8-19)15(3)13(21)17-14(22)18-15/h9-11H,4-8,16H2,1-3H3,(H2,17,18,21,22)
InChIKeyPEIXDXBCDVWBOA-UHFFFAOYSA-N
XLogP0.20
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.20
H-Bond Donors ≤ 53
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 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 119809903) is 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CCC(C)C(N)C(=O)N1CCC(C2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PEIXDXBCDVWBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-9(2)11(16)12(20)19-7-5-10(6-8-19)15(3)13(21)17-14(22)18-15/h9-11H,4-8,16H2,1-3H3,(H2,17,18,21,22).
What are the key properties of 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 310.40 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 119809903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).