5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide

C22H26N4O3 — CID 91081610

IUPAC5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide
SMILESO=C1NCC(CC2CCCCC2)C(=O)C1C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H26N4O3/c27-20-16(12-15-4-2-1-3-5-15)13-24-21(28)19(20)22(29)25-17-6-8-18(9-7-17)26-11-10-23-14-26/h6-11,14-16,19H,1-5,12-13H2,(H,24,28)(H,25,29)
InChIKeyODEXRFIYCPSBSB-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.71
Rot. Bonds5

About 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide

5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide (PubChem CID 91081610) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide
PubChem CID91081610
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide
SMILESO=C1NCC(CC2CCCCC2)C(=O)C1C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H26N4O3/c27-20-16(12-15-4-2-1-3-5-15)13-24-21(28)19(20)22(29)25-17-6-8-18(9-7-17)26-11-10-23-14-26/h6-11,14-16,19H,1-5,12-13H2,(H,24,28)(H,25,29)
InChIKeyODEXRFIYCPSBSB-UHFFFAOYSA-N
XLogP2.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide?
The IUPAC name of 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide (CID 91081610) is 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide?
The canonical SMILES for 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide is O=C1NCC(CC2CCCCC2)C(=O)C1C(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide?
The InChIKey is ODEXRFIYCPSBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-20-16(12-15-4-2-1-3-5-15)13-24-21(28)19(20)22(29)25-17-6-8-18(9-7-17)26-11-10-23-14-26/h6-11,14-16,19H,1-5,12-13H2,(H,24,28)(H,25,29).
What are the key properties of 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide?
5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-N-(4-imidazol-1-ylphenyl)-2,4-dioxopiperidine-3-carboxamide is sourced from PubChem (CID 91081610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).