3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C25H25FN4O4 — CID 46635294

IUPAC3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)CC2)c(F)c1
InChIInChI=1S/C25H25FN4O4/c1-16(31)18-6-7-21(20(26)14-18)28-10-12-29(13-11-28)22(32)15-30-23(33)25(27-24(30)34)9-8-17-4-2-3-5-19(17)25/h2-7,14H,8-13,15H2,1H3,(H,27,34)
InChIKeyNMXCUUOTKMVPBR-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.07
Rot. Bonds4

About 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 46635294) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID46635294
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)CC2)c(F)c1
InChIInChI=1S/C25H25FN4O4/c1-16(31)18-6-7-21(20(26)14-18)28-10-12-29(13-11-28)22(32)15-30-23(33)25(27-24(30)34)9-8-17-4-2-3-5-19(17)25/h2-7,14H,8-13,15H2,1H3,(H,27,34)
InChIKeyNMXCUUOTKMVPBR-UHFFFAOYSA-N
XLogP2.07
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.07
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-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 18532620
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
(3S)-3'-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 26624665
methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55514918
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
(5S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41138995
(5R)-3'-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 26011393
3'-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione;hydrochloride
CID 119423548
N-(3,4-difluorophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680838
N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16544882
1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55740858

Frequently Asked Questions

What is the IUPAC name of 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 46635294) is 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)CC2)c(F)c1.
What is the InChIKey of 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is NMXCUUOTKMVPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-16(31)18-6-7-21(20(26)14-18)28-10-12-29(13-11-28)22(32)15-30-23(33)25(27-24(30)34)9-8-17-4-2-3-5-19(17)25/h2-7,14H,8-13,15H2,1H3,(H,27,34).
What are the key properties of 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 464.50 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 46635294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).