3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C11H19N3O3 — CID 60966909

IUPAC3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN1CCC(CO)CC1
InChIInChI=1S/C11H19N3O3/c15-8-9-1-3-13(4-2-9)5-6-14-10(16)7-12-11(14)17/h9,15H,1-8H2,(H,12,17)
InChIKeyGXWWTIHIUQAGFN-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.76
Rot. Bonds4

About 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 60966909) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID60966909
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN1CCC(CO)CC1
InChIInChI=1S/C11H19N3O3/c15-8-9-1-3-13(4-2-9)5-6-14-10(16)7-12-11(14)17/h9,15H,1-8H2,(H,12,17)
InChIKeyGXWWTIHIUQAGFN-UHFFFAOYSA-N
XLogP-0.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(2-hydroxyethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione;hydrochloride
CID 131719164
3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81492860
3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 62733667
3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 95176586
3-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 114779631
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 103576544
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
CID 86978734
3-[2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 167758406
3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione
CID 71867375
[1-[2-(azetidin-2-yl)ethyl]piperidin-4-yl]methanol
CID 123835791
1-[2-(4-aminopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 43556667

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 60966909) is 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCN1CCC(CO)CC1.
What is the InChIKey of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is GXWWTIHIUQAGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-8-9-1-3-13(4-2-9)5-6-14-10(16)7-12-11(14)17/h9,15H,1-8H2,(H,12,17).
What are the key properties of 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60966909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).