N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide

C25H30FN3O2S — CID 68503417

IUPACN-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide
SMILESN#Cc1ccc(OC2CCN(CCC3CCC(NC(=O)c4cccs4)CC3)CC2)c(F)c1
InChIInChI=1S/C25H30FN3O2S/c26-22-16-19(17-27)5-8-23(22)31-21-10-13-29(14-11-21)12-9-18-3-6-20(7-4-18)28-25(30)24-2-1-15-32-24/h1-2,5,8,15-16,18,20-21H,3-4,6-7,9-14H2,(H,28,30)
InChIKeyPOLULVPYILAXPP-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.98
Rot. Bonds7

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

N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 68503417) has the molecular formula C25H30FN3O2S and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide
PubChem CID68503417
Molecular FormulaC25H30FN3O2S
Molecular Weight455.60 g/mol
Exact Mass455.20
IUPAC NameN-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide
SMILESN#Cc1ccc(OC2CCN(CCC3CCC(NC(=O)c4cccs4)CC3)CC2)c(F)c1
InChIInChI=1S/C25H30FN3O2S/c26-22-16-19(17-27)5-8-23(22)31-21-10-13-29(14-11-21)12-9-18-3-6-20(7-4-18)28-25(30)24-2-1-15-32-24/h1-2,5,8,15-16,18,20-21H,3-4,6-7,9-14H2,(H,28,30)
InChIKeyPOLULVPYILAXPP-UHFFFAOYSA-N
XLogP4.98
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide (CID 68503417) is N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide is N#Cc1ccc(OC2CCN(CCC3CCC(NC(=O)c4cccs4)CC3)CC2)c(F)c1.
What is the InChIKey of N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is POLULVPYILAXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2S/c26-22-16-19(17-27)5-8-23(22)31-21-10-13-29(14-11-21)12-9-18-3-6-20(7-4-18)28-25(30)24-2-1-15-32-24/h1-2,5,8,15-16,18,20-21H,3-4,6-7,9-14H2,(H,28,30).
What are the key properties of N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide?
N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-cyano-2-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 68503417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).