3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C16H22N4O4 — CID 34955514

IUPAC3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCN(C(=O)c3ccoc3)CC2)C1=O
InChIInChI=1S/C16H22N4O4/c1-16(2)14(22)20(15(23)17-16)9-6-18-4-7-19(8-5-18)13(21)12-3-10-24-11-12/h3,10-11H,4-9H2,1-2H3,(H,17,23)
InChIKeyZZSNNSPVWMGKDT-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.37
Rot. Bonds4

About 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 34955514) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID34955514
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCN(C(=O)c3ccoc3)CC2)C1=O
InChIInChI=1S/C16H22N4O4/c1-16(2)14(22)20(15(23)17-16)9-6-18-4-7-19(8-5-18)13(21)12-3-10-24-11-12/h3,10-11H,4-9H2,1-2H3,(H,17,23)
InChIKeyZZSNNSPVWMGKDT-UHFFFAOYSA-N
XLogP0.37
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.37
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-[3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 78898171
3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63309791
[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 99791992
furan-3-yl-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]methanone
CID 110905169
ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
CID 47029520
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 60655462
furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone
CID 111976736
4-(furan-3-carbonyl)piperazine-2,6-dione
CID 66083593
2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
CID 129368099

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 34955514) is 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCN(C(=O)c3ccoc3)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZZSNNSPVWMGKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-16(2)14(22)20(15(23)17-16)9-6-18-4-7-19(8-5-18)13(21)12-3-10-24-11-12/h3,10-11H,4-9H2,1-2H3,(H,17,23).
What are the key properties of 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(furan-3-carbonyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 34955514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).