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

C22H22F2N4O2 — CID 53177888

IUPACN-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1c1nc(-c2cccc(F)c2)no1)NCc1ccc(F)cc1
InChIInChI=1S/C22H22F2N4O2/c23-17-9-7-15(8-10-17)13-25-20(29)14-28-11-2-1-6-19(28)22-26-21(27-30-22)16-4-3-5-18(24)12-16/h3-5,7-10,12,19H,1-2,6,11,13-14H2,(H,25,29)
InChIKeyJRTXVCUWIDGWGU-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (PubChem CID 53177888) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
PubChem CID53177888
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1c1nc(-c2cccc(F)c2)no1)NCc1ccc(F)cc1
InChIInChI=1S/C22H22F2N4O2/c23-17-9-7-15(8-10-17)13-25-20(29)14-28-11-2-1-6-19(28)22-26-21(27-30-22)16-4-3-5-18(24)12-16/h3-5,7-10,12,19H,1-2,6,11,13-14H2,(H,25,29)
InChIKeyJRTXVCUWIDGWGU-UHFFFAOYSA-N
XLogP3.86
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (CID 53177888) is N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is O=C(CN1CCCCC1c1nc(-c2cccc(F)c2)no1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is JRTXVCUWIDGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-17-9-7-15(8-10-17)13-25-20(29)14-28-11-2-1-6-19(28)22-26-21(27-30-22)16-4-3-5-18(24)12-16/h3-5,7-10,12,19H,1-2,6,11,13-14H2,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 412.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 53177888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).