3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione

C29H29N3O3 — CID 5182758

IUPAC3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H29N3O3/c33-26(31-18-16-23(17-19-31)20-22-10-4-1-5-11-22)21-32-27(34)29(30-28(32)35,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23H,16-21H2,(H,30,35)
InChIKeyVGQHFEMFJVEKMF-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.96
Rot. Bonds6

About 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione

3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 5182758) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID5182758
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H29N3O3/c33-26(31-18-16-23(17-19-31)20-22-10-4-1-5-11-22)21-32-27(34)29(30-28(32)35,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23H,16-21H2,(H,30,35)
InChIKeyVGQHFEMFJVEKMF-UHFFFAOYSA-N
XLogP3.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178688
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
8-[2-(4-benzylpiperidin-1-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978311
N-benzyl-4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579772
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
CID 136544103
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
CID 20881599
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 9204510

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione (CID 5182758) is 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione is O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is VGQHFEMFJVEKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c33-26(31-18-16-23(17-19-31)20-22-10-4-1-5-11-22)21-32-27(34)29(30-28(32)35,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23H,16-21H2,(H,30,35).
What are the key properties of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 467.57 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 5182758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).