3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

C14H26N3O3+ — CID 6963622

IUPAC3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1CC[NH+](C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C14H25N3O3/c1-10-4-6-16(7-5-10)8-11(18)9-17-12(19)14(2,3)15-13(17)20/h10-11,18H,4-9H2,1-3H3,(H,15,20)/p+1/t11-/m1/s1
InChIKeyVZRHVKVZLPIBBS-LLVKDONJSA-O
MW284.38 g/mol
LogP-1.01
Rot. Bonds4

About 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 6963622) has the molecular formula C14H26N3O3+ and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID6963622
Molecular FormulaC14H26N3O3+
Molecular Weight284.38 g/mol
Exact Mass284.20
IUPAC Name3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1CC[NH+](C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C14H25N3O3/c1-10-4-6-16(7-5-10)8-11(18)9-17-12(19)14(2,3)15-13(17)20/h10-11,18H,4-9H2,1-3H3,(H,15,20)/p+1/t11-/m1/s1
InChIKeyVZRHVKVZLPIBBS-LLVKDONJSA-O
XLogP-1.01
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 6963622) is 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1CC[NH+](C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)CC1.
What is the InChIKey of 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VZRHVKVZLPIBBS-LLVKDONJSA-O. The full InChI is InChI=1S/C14H25N3O3/c1-10-4-6-16(7-5-10)8-11(18)9-17-12(19)14(2,3)15-13(17)20/h10-11,18H,4-9H2,1-3H3,(H,15,20)/p+1/t11-/m1/s1.
What are the key properties of 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 284.38 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 6963622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).