N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C18H27F3N4O2 — CID 86822640

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1nc(C2(NC(=O)C3CCN(CC(F)(F)F)CC3)CCCCCC2)no1
InChIInChI=1S/C18H27F3N4O2/c1-13-22-16(24-27-13)17(8-4-2-3-5-9-17)23-15(26)14-6-10-25(11-7-14)12-18(19,20)21/h14H,2-12H2,1H3,(H,23,26)
InChIKeyOACZJUIEUHCHAG-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 86822640) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID86822640
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1nc(C2(NC(=O)C3CCN(CC(F)(F)F)CC3)CCCCCC2)no1
InChIInChI=1S/C18H27F3N4O2/c1-13-22-16(24-27-13)17(8-4-2-3-5-9-17)23-15(26)14-6-10-25(11-7-14)12-18(19,20)21/h14H,2-12H2,1H3,(H,23,26)
InChIKeyOACZJUIEUHCHAG-UHFFFAOYSA-N
XLogP3.32
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide 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-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 86822640) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cc1nc(C2(NC(=O)C3CCN(CC(F)(F)F)CC3)CCCCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is OACZJUIEUHCHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O2/c1-13-22-16(24-27-13)17(8-4-2-3-5-9-17)23-15(26)14-6-10-25(11-7-14)12-18(19,20)21/h14H,2-12H2,1H3,(H,23,26).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 86822640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).