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

C16H21N5O3 — CID 127246109

IUPAC5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCCC(c3cnccn3)C2)C1=O
InChIInChI=1S/C16H21N5O3/c1-16(2)14(23)21(15(24)19-16)10-13(22)20-7-3-4-11(9-20)12-8-17-5-6-18-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,19,24)
InChIKeyNCDDTTPWXOHUIE-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.51
Rot. Bonds3

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

5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 127246109) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID127246109
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCCC(c3cnccn3)C2)C1=O
InChIInChI=1S/C16H21N5O3/c1-16(2)14(23)21(15(24)19-16)10-13(22)20-7-3-4-11(9-20)12-8-17-5-6-18-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,19,24)
InChIKeyNCDDTTPWXOHUIE-UHFFFAOYSA-N
XLogP0.51
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.51
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

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
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
5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043
5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56823353
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
5,5-dimethyl-3-[2-[3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110217940
2-(benzimidazol-1-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 127246094
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
3-[2-oxo-2-(4-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 110103050
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione (CID 127246109) is 5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCCC(c3cnccn3)C2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is NCDDTTPWXOHUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-16(2)14(23)21(15(24)19-16)10-13(22)20-7-3-4-11(9-20)12-8-17-5-6-18-12/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,19,24).
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of 0.51, 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-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 127246109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).