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

C15H21F3N4O2 — CID 71792980

IUPACN-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)13-21-20-12(24-13)10-6-8-22(9-7-10)14(23)19-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,19,23)
InChIKeyMSKHGWYFFXAGKS-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.31
Rot. Bonds2

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

N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 71792980) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID71792980
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)13-21-20-12(24-13)10-6-8-22(9-7-10)14(23)19-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,19,23)
InChIKeyMSKHGWYFFXAGKS-UHFFFAOYSA-N
XLogP3.31
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 71792980) is N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is MSKHGWYFFXAGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)13-21-20-12(24-13)10-6-8-22(9-7-10)14(23)19-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,19,23).
What are the key properties of N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71792980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).