4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide

C16H20FN5O2 — CID 126841034

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide
SMILESNc1nnc(C2CCN(C(=O)NCCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C16H20FN5O2/c17-13-3-1-11(2-4-13)5-8-19-16(23)22-9-6-12(7-10-22)14-20-21-15(18)24-14/h1-4,12H,5-10H2,(H2,18,21)(H,19,23)
InChIKeyZRYFORAIOQHMSE-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.92
Rot. Bonds4

About 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide

4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide (PubChem CID 126841034) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide
PubChem CID126841034
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide
SMILESNc1nnc(C2CCN(C(=O)NCCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C16H20FN5O2/c17-13-3-1-11(2-4-13)5-8-19-16(23)22-9-6-12(7-10-22)14-20-21-15(18)24-14/h1-4,12H,5-10H2,(H2,18,21)(H,19,23)
InChIKeyZRYFORAIOQHMSE-UHFFFAOYSA-N
XLogP1.92
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3,4-oxadiazol-2-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45269096
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorobenzyl)piperidine-1-carboxamide
CID 44067579
1-(3,4-difluorobenzyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
CID 72908302
4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 44067509
N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 71792984
5-Ethyl-N-[2-(4-phenylpiperidin-1-YL)ethyl]-1,3,4-oxadiazol-2-amine
CID 72937354
5-[1-[(2,6-Difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
CID 126831030
N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 164639420
2-(4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-N-phenethylacetamide
CID 49702835
2-[2-(2-Fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808932
2-[2-(3-Fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808934
2-[2-(4-Fluorophenyl)ethyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808936

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide (CID 126841034) is 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide is Nc1nnc(C2CCN(C(=O)NCCc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is ZRYFORAIOQHMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c17-13-3-1-11(2-4-13)5-8-19-16(23)22-9-6-12(7-10-22)14-20-21-15(18)24-14/h1-4,12H,5-10H2,(H2,18,21)(H,19,23).
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide?
4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126841034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).