ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate

C28H32FN3O4 — CID 53115310

IUPACethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)CC1
InChIInChI=1S/C28H32FN3O4/c1-2-35-28(34)20-14-16-31(17-15-20)27(33)24-13-12-23(36-24)26-25(19-8-10-21(29)11-9-19)30-18-32(26)22-6-4-3-5-7-22/h8-13,18,20,22H,2-7,14-17H2,1H3
InChIKeyCCIHAHDTZLVUKD-UHFFFAOYSA-N
MW493.58 g/mol
LogP5.87
Rot. Bonds6

About ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate

ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate (PubChem CID 53115310) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate
PubChem CID53115310
Molecular FormulaC28H32FN3O4
Molecular Weight493.58 g/mol
Exact Mass493.24
IUPAC Nameethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)CC1
InChIInChI=1S/C28H32FN3O4/c1-2-35-28(34)20-14-16-31(17-15-20)27(33)24-13-12-23(36-24)26-25(19-8-10-21(29)11-9-19)30-18-32(26)22-6-4-3-5-7-22/h8-13,18,20,22H,2-7,14-17H2,1H3
InChIKeyCCIHAHDTZLVUKD-UHFFFAOYSA-N
XLogP5.87
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.58
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036147
[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036107
N-[(2R)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056555
N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056556
N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53036069
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 53115217
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 95087066
5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide
CID 53115293
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 53115177
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]furan-2-carboxamide
CID 95087041
5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 53115173

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate (CID 53115310) is ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)CC1.
What is the InChIKey of ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate?
The InChIKey is CCIHAHDTZLVUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4/c1-2-35-28(34)20-14-16-31(17-15-20)27(33)24-13-12-23(36-24)26-25(19-8-10-21(29)11-9-19)30-18-32(26)22-6-4-3-5-7-22/h8-13,18,20,22H,2-7,14-17H2,1H3.
What are the key properties of ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 493.58 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 53115310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).