5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione

C17H22N6O3 — CID 18154885

IUPAC5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C17H22N6O3/c1-17(12-2-3-12)15(25)23(16(26)20-17)11-14(24)22-8-6-21(7-9-22)13-10-18-4-5-19-13/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,26)
InChIKeyLRBZNWQQSKFTAE-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.15
Rot. Bonds4

About 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione

5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 18154885) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID18154885
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3cnccn3)CC2)C1=O
InChIInChI=1S/C17H22N6O3/c1-17(12-2-3-12)15(25)23(16(26)20-17)11-14(24)22-8-6-21(7-9-22)13-10-18-4-5-19-13/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,26)
InChIKeyLRBZNWQQSKFTAE-UHFFFAOYSA-N
XLogP-0.15
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-cyclopropyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 94512474
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 41197745
5,5-dimethyl-3-[2-oxo-2-(3-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 127246109
5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119644656
5-cyclopropyl-5-methyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119488225
3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119854129
5-cyclopropyl-5-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 78790835
3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 18146014
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (CID 18154885) is 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3cnccn3)CC2)C1=O.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is LRBZNWQQSKFTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-17(12-2-3-12)15(25)23(16(26)20-17)11-14(24)22-8-6-21(7-9-22)13-10-18-4-5-19-13/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,26).
What are the key properties of 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18154885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).