N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C21H28F3N5O2 — CID 73296031

IUPACN-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESCOC1CN(c2ncc(C(F)(F)F)cc2-c2nc(C)no2)CCC1NC1CCCCC1
InChIInChI=1S/C21H28F3N5O2/c1-13-26-20(31-28-13)16-10-14(21(22,23)24)11-25-19(16)29-9-8-17(18(12-29)30-2)27-15-6-4-3-5-7-15/h10-11,15,17-18,27H,3-9,12H2,1-2H3
InChIKeyCCQFUQYNXOELML-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.97
Rot. Bonds5

About N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 73296031) has the molecular formula C21H28F3N5O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID73296031
Molecular FormulaC21H28F3N5O2
Molecular Weight439.48 g/mol
Exact Mass439.22
IUPAC NameN-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESCOC1CN(c2ncc(C(F)(F)F)cc2-c2nc(C)no2)CCC1NC1CCCCC1
InChIInChI=1S/C21H28F3N5O2/c1-13-26-20(31-28-13)16-10-14(21(22,23)24)11-25-19(16)29-9-8-17(18(12-29)30-2)27-15-6-4-3-5-7-15/h10-11,15,17-18,27H,3-9,12H2,1-2H3
InChIKeyCCQFUQYNXOELML-UHFFFAOYSA-N
XLogP3.97
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine 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 N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 73296031) is N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is COC1CN(c2ncc(C(F)(F)F)cc2-c2nc(C)no2)CCC1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is CCQFUQYNXOELML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5O2/c1-13-26-20(31-28-13)16-10-14(21(22,23)24)11-25-19(16)29-9-8-17(18(12-29)30-2)27-15-6-4-3-5-7-15/h10-11,15,17-18,27H,3-9,12H2,1-2H3.
What are the key properties of N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 439.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 73296031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).