4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid

C18H28N4O3 — CID 67643102

IUPAC4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1nccn1CCC1CCNCC1
InChIInChI=1S/C18H28N4O3/c23-17(21-15-3-1-14(2-4-15)18(24)25)16-20-10-12-22(16)11-7-13-5-8-19-9-6-13/h10,12-15,19H,1-9,11H2,(H,21,23)(H,24,25)
InChIKeyXJGIPDAIOSBWDK-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.65
Rot. Bonds6

About 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 67643102) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID67643102
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1nccn1CCC1CCNCC1
InChIInChI=1S/C18H28N4O3/c23-17(21-15-3-1-14(2-4-15)18(24)25)16-20-10-12-22(16)11-7-13-5-8-19-9-6-13/h10,12-15,19H,1-9,11H2,(H,21,23)(H,24,25)
InChIKeyXJGIPDAIOSBWDK-UHFFFAOYSA-N
XLogP1.65
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753
methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate
CID 18969489
4-[(4-ethyl-1-piperidin-4-ylimidazole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67645079
4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808069
[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 19371488
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
1-(cyclopentylmethyl)imidazole-2-carboxylic acid
CID 84665405
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 107497522

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 67643102) is 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1nccn1CCC1CCNCC1.
What is the InChIKey of 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is XJGIPDAIOSBWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c23-17(21-15-3-1-14(2-4-15)18(24)25)16-20-10-12-22(16)11-7-13-5-8-19-9-6-13/h10,12-15,19H,1-9,11H2,(H,21,23)(H,24,25).
What are the key properties of 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-piperidin-4-ylethyl)imidazole-2-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67643102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).