1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile

C30H27FN4O2 — CID 10141437

IUPAC1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCCN2C(=O)NC3(C2=O)c2ccccc2-c2ccc(F)cc23)CC1
InChIInChI=1S/C30H27FN4O2/c31-22-11-12-24-23-9-4-5-10-25(23)30(26(24)19-22)27(36)35(28(37)33-30)16-6-15-34-17-13-29(20-32,14-18-34)21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18H2,(H,33,37)
InChIKeySEDUYVGYZRYFHT-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.55
Rot. Bonds5

About 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile

1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 10141437) has the molecular formula C30H27FN4O2 and a molecular weight of 494.57 g/mol. Its IUPAC name is 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID10141437
Molecular FormulaC30H27FN4O2
Molecular Weight494.57 g/mol
Exact Mass494.21
IUPAC Name1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCCN2C(=O)NC3(C2=O)c2ccccc2-c2ccc(F)cc23)CC1
InChIInChI=1S/C30H27FN4O2/c31-22-11-12-24-23-9-4-5-10-25(23)30(26(24)19-22)27(36)35(28(37)33-30)16-6-15-34-17-13-29(20-32,14-18-34)21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18H2,(H,33,37)
InChIKeySEDUYVGYZRYFHT-UHFFFAOYSA-N
XLogP4.55
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
CID 10299367
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
CID 57122337
3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 22960997
3-[3-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
CID 10120260
3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
CID 18435783
4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
CID 91831464
5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 21395250
5-(4-bromophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;hydrochloride
CID 3043731
5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione
CID 22961000
1-[2-(2-butyl-1,3-dimethyl-4,6-dioxopyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
CID 24848780
3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5-methyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 158461626
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile (CID 10141437) is 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(CCCN2C(=O)NC3(C2=O)c2ccccc2-c2ccc(F)cc23)CC1.
What is the InChIKey of 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is SEDUYVGYZRYFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O2/c31-22-11-12-24-23-9-4-5-10-25(23)30(26(24)19-22)27(36)35(28(37)33-30)16-6-15-34-17-13-29(20-32,14-18-34)21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18H2,(H,33,37).
What are the key properties of 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile?
1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 494.57 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)propyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 10141437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).