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

C16H23F3N4O2 — CID 90540034

IUPACN-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)14-22-21-13(25-14)11-7-9-23(10-8-11)15(24)20-12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,20,24)
InChIKeyZJFXPUBRAUGPRX-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.70
Rot. Bonds2

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

N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90540034) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90540034
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC NameN-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)14-22-21-13(25-14)11-7-9-23(10-8-11)15(24)20-12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,20,24)
InChIKeyZJFXPUBRAUGPRX-UHFFFAOYSA-N
XLogP3.70
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90540034) is N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is O=C(NC1CCCCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is ZJFXPUBRAUGPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c17-16(18,19)14-22-21-13(25-14)11-7-9-23(10-8-11)15(24)20-12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,20,24).
What are the key properties of N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90540034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).