(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C17H25N5O3 — CID 95198121

IUPAC(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCc1nccn1CC(=O)N1CCC([C@@]2(CC)NC(=O)NC2=O)CC1
InChIInChI=1S/C17H25N5O3/c1-3-13-18-7-10-22(13)11-14(23)21-8-5-12(6-9-21)17(4-2)15(24)19-16(25)20-17/h7,10,12H,3-6,8-9,11H2,1-2H3,(H2,19,20,24,25)/t17-/m1/s1
InChIKeyHFLWFAWNNHAPCX-QGZVFWFLSA-N
MW347.42 g/mol
LogP0.67
Rot. Bonds5

About (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 95198121) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID95198121
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCc1nccn1CC(=O)N1CCC([C@@]2(CC)NC(=O)NC2=O)CC1
InChIInChI=1S/C17H25N5O3/c1-3-13-18-7-10-22(13)11-14(23)21-8-5-12(6-9-21)17(4-2)15(24)19-16(25)20-17/h7,10,12H,3-6,8-9,11H2,1-2H3,(H2,19,20,24,25)/t17-/m1/s1
InChIKeyHFLWFAWNNHAPCX-QGZVFWFLSA-N
XLogP0.67
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 95211410
5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56721489
3-[[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085245
2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 91834957
5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 56740245
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72908795
2-(2-ethylimidazol-1-yl)-1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]ethanone
CID 124977233
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 90493325
1-[(3aS,5R,7aR)-5-hydroxy-3a-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 110126217
2-(2-ethylimidazol-1-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 56895286

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 95198121) is (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is CCc1nccn1CC(=O)N1CCC([C@@]2(CC)NC(=O)NC2=O)CC1.
What is the InChIKey of (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is HFLWFAWNNHAPCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-3-13-18-7-10-22(13)11-14(23)21-8-5-12(6-9-21)17(4-2)15(24)19-16(25)20-17/h7,10,12H,3-6,8-9,11H2,1-2H3,(H2,19,20,24,25)/t17-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 95198121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).