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

C14H19F3N4O2 — CID 90540035

IUPACN-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)12-20-19-11(23-12)9-5-7-21(8-6-9)13(22)18-10-3-1-2-4-10/h9-10H,1-8H2,(H,18,22)
InChIKeyGWLATHWOCSPBBW-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.92
Rot. Bonds2

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

N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90540035) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90540035
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)12-20-19-11(23-12)9-5-7-21(8-6-9)13(22)18-10-3-1-2-4-10/h9-10H,1-8H2,(H,18,22)
InChIKeyGWLATHWOCSPBBW-UHFFFAOYSA-N
XLogP2.92
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90540035) is N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is GWLATHWOCSPBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c15-14(16,17)12-20-19-11(23-12)9-5-7-21(8-6-9)13(22)18-10-3-1-2-4-10/h9-10H,1-8H2,(H,18,22).
What are the key properties of N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90540035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).