5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

C24H26ClN3O4 — CID 71701821

IUPAC5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H26ClN3O4/c25-19-8-6-18(7-9-19)24(32)11-14-27(15-12-24)21(29)16-20-22(30)28(23(31)26-20)13-10-17-4-2-1-3-5-17/h1-9,20,32H,10-16H2,(H,26,31)
InChIKeySYPDMPCHUNTXCU-UHFFFAOYSA-N
MW455.94 g/mol
LogP2.70
Rot. Bonds6

About 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 71701821) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID71701821
Molecular FormulaC24H26ClN3O4
Molecular Weight455.94 g/mol
Exact Mass455.16
IUPAC Name5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H26ClN3O4/c25-19-8-6-18(7-9-19)24(32)11-14-27(15-12-24)21(29)16-20-22(30)28(23(31)26-20)13-10-17-4-2-1-3-5-17/h1-9,20,32H,10-16H2,(H,26,31)
InChIKeySYPDMPCHUNTXCU-UHFFFAOYSA-N
XLogP2.70
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 91823187
5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 71705445
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 75491171
(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2704050
5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 75356598
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 144925800
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75489932
(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 124861250
(5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 99871130
(5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 95211215

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (CID 71701821) is 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is O=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is SYPDMPCHUNTXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c25-19-8-6-18(7-9-19)24(32)11-14-27(15-12-24)21(29)16-20-22(30)28(23(31)26-20)13-10-17-4-2-1-3-5-17/h1-9,20,32H,10-16H2,(H,26,31).
What are the key properties of 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 455.94 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71701821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).