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

C18H23FN4O2 — CID 47039596

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CN2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChIInChI=1S/C18H23FN4O2/c1-13-21-17(25-22-13)12-23-10-7-15(8-11-23)18(24)20-9-6-14-4-2-3-5-16(14)19/h2-5,15H,6-12H2,1H3,(H,20,24)
InChIKeyWHZBQWBAMCLUBE-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.09
Rot. Bonds6

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

N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 47039596) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID47039596
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CN2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChIInChI=1S/C18H23FN4O2/c1-13-21-17(25-22-13)12-23-10-7-15(8-11-23)18(24)20-9-6-14-4-2-3-5-16(14)19/h2-5,15H,6-12H2,1H3,(H,20,24)
InChIKeyWHZBQWBAMCLUBE-UHFFFAOYSA-N
XLogP2.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]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

Related Compounds

4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271599
(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methoxypiperidine
CID 16189965
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16190830
N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 16192431
1-[[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 648164
1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 662946
1-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine
CID 16187376
4-[(1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-3-yl)methyl]morpholine
CID 16187821
4-[(1-{[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16189858
2-(4-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 16189966

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 47039596) is N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CN2CCC(C(=O)NCCc3ccccc3F)CC2)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WHZBQWBAMCLUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-21-17(25-22-13)12-23-10-7-15(8-11-23)18(24)20-9-6-14-4-2-3-5-16(14)19/h2-5,15H,6-12H2,1H3,(H,20,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47039596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).