3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C23H24N4O5 — CID 2998326

IUPAC3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H24N4O5/c28-19(25-10-12-26(13-11-25)20(29)18-8-4-14-32-18)15-27-21(30)23(24-22(27)31)9-3-6-16-5-1-2-7-17(16)23/h1-2,4-5,7-8,14H,3,6,9-13,15H2,(H,24,31)
InChIKeyJAOBNIFIMMUVEX-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.35
Rot. Bonds3

About 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 2998326) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID2998326
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H24N4O5/c28-19(25-10-12-26(13-11-25)20(29)18-8-4-14-32-18)15-27-21(30)23(24-22(27)31)9-3-6-16-5-1-2-7-17(16)23/h1-2,4-5,7-8,14H,3,6,9-13,15H2,(H,24,31)
InChIKeyJAOBNIFIMMUVEX-UHFFFAOYSA-N
XLogP1.35
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 2998326) is 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is JAOBNIFIMMUVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c28-19(25-10-12-26(13-11-25)20(29)18-8-4-14-32-18)15-27-21(30)23(24-22(27)31)9-3-6-16-5-1-2-7-17(16)23/h1-2,4-5,7-8,14H,3,6,9-13,15H2,(H,24,31).
What are the key properties of 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 436.47 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2998326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).