1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C21H27IN4O3 — CID 3719393

IUPAC1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(c3ccc(I)cc3)C2=O)CC1
InChIInChI=1S/C21H27IN4O3/c22-15-4-6-16(7-5-15)26-18(27)14-17(19(26)28)24-12-8-21(9-13-24,20(23)29)25-10-2-1-3-11-25/h4-7,17H,1-3,8-14H2,(H2,23,29)
InChIKeyJGTKPJZNVORVPL-UHFFFAOYSA-N
MW510.38 g/mol
LogP1.73
Rot. Bonds4

About 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 3719393) has the molecular formula C21H27IN4O3 and a molecular weight of 510.38 g/mol. Its IUPAC name is 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID3719393
Molecular FormulaC21H27IN4O3
Molecular Weight510.38 g/mol
Exact Mass510.11
IUPAC Name1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(c3ccc(I)cc3)C2=O)CC1
InChIInChI=1S/C21H27IN4O3/c22-15-4-6-16(7-5-15)26-18(27)14-17(19(26)28)24-12-8-21(9-13-24,20(23)29)25-10-2-1-3-11-25/h4-7,17H,1-3,8-14H2,(H2,23,29)
InChIKeyJGTKPJZNVORVPL-UHFFFAOYSA-N
XLogP1.73
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1282167
1-[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1282166
1-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2937059
1-[(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1307651
1-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884054
1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 710213
(3R)-3-(4-hydroxypiperidin-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1242406
3-(4-hydroxypiperidin-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 2882408
1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 27833260
1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884731
ethyl 4-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 2877440
4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 5302557

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 3719393) is 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(c3ccc(I)cc3)C2=O)CC1.
What is the InChIKey of 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is JGTKPJZNVORVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27IN4O3/c22-15-4-6-16(7-5-15)26-18(27)14-17(19(26)28)24-12-8-21(9-13-24,20(23)29)25-10-2-1-3-11-25/h4-7,17H,1-3,8-14H2,(H2,23,29).
What are the key properties of 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 510.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3719393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).