4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide

C15H21N5O3 — CID 118248281

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cn[nH]n1)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H21N5O3/c21-13-5-6-14(22)20(13)9-10-1-3-11(4-2-10)15(23)16-7-12-8-17-19-18-12/h8,10-11H,1-7,9H2,(H,16,23)(H,17,18,19)
InChIKeyONJNIAAFZTZMFL-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.38
Rot. Bonds5

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 118248281) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID118248281
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1cn[nH]n1)C1CCC(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H21N5O3/c21-13-5-6-14(22)20(13)9-10-1-3-11(4-2-10)15(23)16-7-12-8-17-19-18-12/h8,10-11H,1-7,9H2,(H,16,23)(H,17,18,19)
InChIKeyONJNIAAFZTZMFL-UHFFFAOYSA-N
XLogP0.38
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 166992011
N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 131204421
(3S)-5-oxo-N-(2H-triazol-4-ylmethyl)azepane-3-carboxamide
CID 175902882
1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
CID 75494567
1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 58069219
1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 175926594
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[[1-(4-hydroxy-2-methylbutan-2-yl)triazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 177226808
(2S,11S)-11-(tert-butylamino)-12-oxo-N-(2H-triazol-4-ylmethyl)-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxamide
CID 153411909
N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane
CID 145240187
2H-triazol-4-ylmethylcarbamoyl pyrrolidine-1-carboperoxoate
CID 176952310
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
CID 4200874
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 130219574

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide (CID 118248281) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1cn[nH]n1)C1CCC(CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is ONJNIAAFZTZMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c21-13-5-6-14(22)20(13)9-10-1-3-11(4-2-10)15(23)16-7-12-8-17-19-18-12/h8,10-11H,1-7,9H2,(H,16,23)(H,17,18,19).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2H-triazol-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 118248281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).