4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H28N4O3 — CID 67645079

IUPAC4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1cn(C2CCNCC2)c(C(=O)NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-2-13-11-22(15-7-9-19-10-8-15)16(20-13)17(23)21-14-5-3-12(4-6-14)18(24)25/h11-12,14-15,19H,2-10H2,1H3,(H,21,23)(H,24,25)
InChIKeyCVSWNOFSOROYAO-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.74
Rot. Bonds5

About 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 67645079) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID67645079
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1cn(C2CCNCC2)c(C(=O)NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-2-13-11-22(15-7-9-19-10-8-15)16(20-13)17(23)21-14-5-3-12(4-6-14)18(24)25/h11-12,14-15,19H,2-10H2,1H3,(H,21,23)(H,24,25)
InChIKeyCVSWNOFSOROYAO-UHFFFAOYSA-N
XLogP1.74
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 66120116
4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 67643102
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
1-(1-cyclopentyl-4-ethylimidazol-2-yl)piperazine
CID 106552037
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808069
N-cyclopropyl-1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114611940
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 154474868

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 67645079) is 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CCc1cn(C2CCNCC2)c(C(=O)NC2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CVSWNOFSOROYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-13-11-22(15-7-9-19-10-8-15)16(20-13)17(23)21-14-5-3-12(4-6-14)18(24)25/h11-12,14-15,19H,2-10H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67645079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).