(2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C24H25FN4O4 — CID 139827497

IUPAC(2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)[C@]2(C[C@H](C(=O)N3CCN(CCc4ccccc4)CC3)Oc3ccc(F)cc32)N1
InChIInChI=1S/C24H25FN4O4/c25-17-6-7-19-18(14-17)24(22(31)26-23(32)27-24)15-20(33-19)21(30)29-12-10-28(11-13-29)9-8-16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H2,26,27,31,32)/t20-,24-/m1/s1
InChIKeyHBRYHAOPFROQQK-HYBUGGRVSA-N
MW452.49 g/mol
LogP1.40
Rot. Bonds4

About (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 139827497) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID139827497
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name(2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)[C@]2(C[C@H](C(=O)N3CCN(CCc4ccccc4)CC3)Oc3ccc(F)cc32)N1
InChIInChI=1S/C24H25FN4O4/c25-17-6-7-19-18(14-17)24(22(31)26-23(32)27-24)15-20(33-19)21(30)29-12-10-28(11-13-29)9-8-16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H2,26,27,31,32)/t20-,24-/m1/s1
InChIKeyHBRYHAOPFROQQK-HYBUGGRVSA-N
XLogP1.40
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.40
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

(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
CID 10107688
6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide
CID 19810608
(2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide
CID 67845497
6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
CID 156598204
(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate
CID 23165405
(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55455781
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110629306
2-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 56903187
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 43041303
5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45190692
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110602338

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 139827497) is (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)[C@]2(C[C@H](C(=O)N3CCN(CCc4ccccc4)CC3)Oc3ccc(F)cc32)N1.
What is the InChIKey of (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is HBRYHAOPFROQQK-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H25FN4O4/c25-17-6-7-19-18(14-17)24(22(31)26-23(32)27-24)15-20(33-19)21(30)29-12-10-28(11-13-29)9-8-16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2,(H2,26,27,31,32)/t20-,24-/m1/s1.
What are the key properties of (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 452.49 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 139827497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).