5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C27H30N4O5 — CID 59216674

IUPAC5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(CC(=O)N3CCC(Cc4ccccc4)CC3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H30N4O5/c1-36-21-8-7-20-16-31(24(33)22(20)14-21)17-27(25(34)28-26(35)29-27)15-23(32)30-11-9-19(10-12-30)13-18-5-3-2-4-6-18/h2-8,14,19H,9-13,15-17H2,1H3,(H2,28,29,34,35)
InChIKeyAOEBDICRMFQJPG-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.10
Rot. Bonds7

About 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 59216674) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID59216674
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(CC(=O)N3CCC(Cc4ccccc4)CC3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H30N4O5/c1-36-21-8-7-20-16-31(24(33)22(20)14-21)17-27(25(34)28-26(35)29-27)15-23(32)30-11-9-19(10-12-30)13-18-5-3-2-4-6-18/h2-8,14,19H,9-13,15-17H2,1H3,(H2,28,29,34,35)
InChIKeyAOEBDICRMFQJPG-UHFFFAOYSA-N
XLogP2.10
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-pentylacetamide
CID 126748370
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
(3Z,5E)-5-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-2-methylidenehepta-3,5-dienoic acid
CID 126748391
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
5-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
CID 91364223
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
5-[[4-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]methyl]-5-pentylimidazolidine-2,4-dione
CID 91395948
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 11717287
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopropyl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58053905

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 59216674) is 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(CC(=O)N3CCC(Cc4ccccc4)CC3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is AOEBDICRMFQJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-36-21-8-7-20-16-31(24(33)22(20)14-21)17-27(25(34)28-26(35)29-27)15-23(32)30-11-9-19(10-12-30)13-18-5-3-2-4-6-18/h2-8,14,19H,9-13,15-17H2,1H3,(H2,28,29,34,35).
What are the key properties of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 490.56 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59216674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).