3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione

C13H21N3O4 — CID 43393443

IUPAC3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCC(O)CC2)C1=O
InChIInChI=1S/C13H21N3O4/c1-13(2)11(19)16(12(20)14-13)8-5-10(18)15-6-3-9(17)4-7-15/h9,17H,3-8H2,1-2H3,(H,14,20)
InChIKeySCLMSJCAVCYZIZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.31
Rot. Bonds3

About 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43393443) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43393443
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCC(O)CC2)C1=O
InChIInChI=1S/C13H21N3O4/c1-13(2)11(19)16(12(20)14-13)8-5-10(18)15-6-3-9(17)4-7-15/h9,17H,3-8H2,1-2H3,(H,14,20)
InChIKeySCLMSJCAVCYZIZ-UHFFFAOYSA-N
XLogP-0.31
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.31
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

5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 60655462
3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 115775078
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 43416050
3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666
3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95390025
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
5,5-dimethyl-3-[3-oxo-3-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]propyl]imidazolidine-2,4-dione
CID 125003841
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 62367006
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 55469761
3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21493759

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43393443) is 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCC(=O)N2CCC(O)CC2)C1=O.
What is the InChIKey of 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SCLMSJCAVCYZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(2)11(19)16(12(20)14-13)8-5-10(18)15-6-3-9(17)4-7-15/h9,17H,3-8H2,1-2H3,(H,14,20).
What are the key properties of 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43393443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).