oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate

C26H36FN3O4 — CID 71268472

IUPACoxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate
SMILESN#Cc1cc(F)ccc1OC1CCN(CCC2CCC(NC(=O)OC3CCOCC3)CC2)CC1
InChIInChI=1S/C26H36FN3O4/c27-21-3-6-25(20(17-21)18-28)33-23-8-13-30(14-9-23)12-7-19-1-4-22(5-2-19)29-26(31)34-24-10-15-32-16-11-24/h3,6,17,19,22-24H,1-2,4-5,7-16H2,(H,29,31)
InChIKeyHPVMLBBQOKVMQN-UHFFFAOYSA-N
MW473.59 g/mol
LogP4.39
Rot. Bonds7

About oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate

oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate (PubChem CID 71268472) has the molecular formula C26H36FN3O4 and a molecular weight of 473.59 g/mol. Its IUPAC name is oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate
PubChem CID71268472
Molecular FormulaC26H36FN3O4
Molecular Weight473.59 g/mol
Exact Mass473.27
IUPAC Nameoxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate
SMILESN#Cc1cc(F)ccc1OC1CCN(CCC2CCC(NC(=O)OC3CCOCC3)CC2)CC1
InChIInChI=1S/C26H36FN3O4/c27-21-3-6-25(20(17-21)18-28)33-23-8-13-30(14-9-23)12-7-19-1-4-22(5-2-19)29-26(31)34-24-10-15-32-16-11-24/h3,6,17,19,22-24H,1-2,4-5,7-16H2,(H,29,31)
InChIKeyHPVMLBBQOKVMQN-UHFFFAOYSA-N
XLogP4.39
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate 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 oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate?
The IUPAC name of oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate (CID 71268472) is oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate.
What is the SMILES notation for oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate?
The canonical SMILES for oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate is N#Cc1cc(F)ccc1OC1CCN(CCC2CCC(NC(=O)OC3CCOCC3)CC2)CC1.
What is the InChIKey of oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate?
The InChIKey is HPVMLBBQOKVMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O4/c27-21-3-6-25(20(17-21)18-28)33-23-8-13-30(14-9-23)12-7-19-1-4-22(5-2-19)29-26(31)34-24-10-15-32-16-11-24/h3,6,17,19,22-24H,1-2,4-5,7-16H2,(H,29,31).
What are the key properties of oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate?
oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate has a molecular weight of 473.59 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-[4-[2-[4-(2-cyano-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 71268472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).