[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate

C26H35FN2O4 — CID 123278881

IUPAC[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate
SMILESNC(=O)C1(OC(=O)C2CCC2)CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C26H35FN2O4/c27-22-6-4-19(5-7-22)23(30)20-11-16-29(17-12-20)15-10-18-8-13-26(14-9-18,25(28)32)33-24(31)21-2-1-3-21/h4-7,18,20-21H,1-3,8-17H2,(H2,28,32)
InChIKeyVAJMIOUCIAWSOI-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.87
Rot. Bonds8

About [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate

[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate (PubChem CID 123278881) has the molecular formula C26H35FN2O4 and a molecular weight of 458.57 g/mol. Its IUPAC name is [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate
PubChem CID123278881
Molecular FormulaC26H35FN2O4
Molecular Weight458.57 g/mol
Exact Mass458.26
IUPAC Name[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate
SMILESNC(=O)C1(OC(=O)C2CCC2)CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C26H35FN2O4/c27-22-6-4-19(5-7-22)23(30)20-11-16-29(17-12-20)15-10-18-8-13-26(14-9-18,25(28)32)33-24(31)21-2-1-3-21/h4-7,18,20-21H,1-3,8-17H2,(H2,28,32)
InChIKeyVAJMIOUCIAWSOI-UHFFFAOYSA-N
XLogP3.87
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate?
The IUPAC name of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate (CID 123278881) is [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate.
What is the SMILES notation for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate?
The canonical SMILES for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate is NC(=O)C1(OC(=O)C2CCC2)CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate?
The InChIKey is VAJMIOUCIAWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O4/c27-22-6-4-19(5-7-22)23(30)20-11-16-29(17-12-20)15-10-18-8-13-26(14-9-18,25(28)32)33-24(31)21-2-1-3-21/h4-7,18,20-21H,1-3,8-17H2,(H2,28,32).
What are the key properties of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate?
[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate has a molecular weight of 458.57 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclobutanecarboxylate is sourced from PubChem (CID 123278881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).