5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione

C17H22N4O4 — CID 56807603

IUPAC5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CC(=O)N2CCN(CCOc3ccccc3)CC2)N1
InChIInChI=1S/C17H22N4O4/c22-15(12-14-16(23)19-17(24)18-14)21-8-6-20(7-9-21)10-11-25-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,18,19,23,24)
InChIKeyZWGWSUDACRVZPE-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.19
Rot. Bonds6

About 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione

5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 56807603) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID56807603
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CC(=O)N2CCN(CCOc3ccccc3)CC2)N1
InChIInChI=1S/C17H22N4O4/c22-15(12-14-16(23)19-17(24)18-14)21-8-6-20(7-9-21)10-11-25-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,18,19,23,24)
InChIKeyZWGWSUDACRVZPE-UHFFFAOYSA-N
XLogP-0.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119833010
1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 86977371
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 96579132
5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 56808778
(5S)-5-[3-[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 131908782
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
CID 91788757

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 56807603) is 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CC(=O)N2CCN(CCOc3ccccc3)CC2)N1.
What is the InChIKey of 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is ZWGWSUDACRVZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c22-15(12-14-16(23)19-17(24)18-14)21-8-6-20(7-9-21)10-11-25-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,18,19,23,24).
What are the key properties of 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56807603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).