5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione

C15H21N5O3 — CID 56823353

IUPAC5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCCC(n3cccn3)C2)C1=O
InChIInChI=1S/C15H21N5O3/c1-15(2)13(22)19(14(23)17-15)10-12(21)18-7-3-5-11(9-18)20-8-4-6-16-20/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,17,23)
InChIKeyGAHJXXJHLMLZQH-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.38
Rot. Bonds3

About 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 56823353) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID56823353
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCCC(n3cccn3)C2)C1=O
InChIInChI=1S/C15H21N5O3/c1-15(2)13(22)19(14(23)17-15)10-12(21)18-7-3-5-11(9-18)20-8-4-6-16-20/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,17,23)
InChIKeyGAHJXXJHLMLZQH-UHFFFAOYSA-N
XLogP0.38
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95281683
5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 127246109
5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 125007071
5,5-dimethyl-3-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110106310
(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 95275178
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110103362
5,5-dimethyl-3-[2-[(3R)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 136916514
2-(5-methylthiophen-2-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95273424

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione (CID 56823353) is 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCCC(n3cccn3)C2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is GAHJXXJHLMLZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-15(2)13(22)19(14(23)17-15)10-12(21)18-7-3-5-11(9-18)20-8-4-6-16-20/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,17,23).
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 319.37 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56823353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).