3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione

C30H30N4O2 — CID 22960997

IUPAC3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione
SMILES[C-]#[N+]C1(c2ccccc2)CCN(CCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1
InChIInChI=1S/C30H30N4O2/c1-31-29(24-12-5-2-6-13-24)18-22-33(23-19-29)20-11-21-34-27(35)30(32-28(34)36,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17H,11,18-23H2,(H,32,36)
InChIKeyTZEIRLFZEAJZNN-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.78
Rot. Bonds7

About 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione

3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 22960997) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID22960997
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione
SMILES[C-]#[N+]C1(c2ccccc2)CCN(CCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1
InChIInChI=1S/C30H30N4O2/c1-31-29(24-12-5-2-6-13-24)18-22-33(23-19-29)20-11-21-34-27(35)30(32-28(34)36,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17H,11,18-23H2,(H,32,36)
InChIKeyTZEIRLFZEAJZNN-UHFFFAOYSA-N
XLogP4.78
TPSA57.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5-methyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 158461626
1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
CID 10299367
3-[3-(4-isocyano-4-phenylpiperidin-1-yl)-2-methylpropyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
CID 22960995
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-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
3-[3-[4-isocyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-5-(4-methylphenyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 22960992
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
CID 18435783
but-2-enedioic acid;5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 70634417

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione (CID 22960997) is 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione is [C-]#[N+]C1(c2ccccc2)CCN(CCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is TZEIRLFZEAJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-31-29(24-12-5-2-6-13-24)18-22-33(23-19-29)20-11-21-34-27(35)30(32-28(34)36,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17H,11,18-23H2,(H,32,36).
What are the key properties of 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 478.60 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 22960997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).