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

C22H22ClFN4O2 — CID 53152435

IUPAC2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C22H22ClFN4O2/c23-19-4-2-1-3-18(19)21-26-22(30-27-21)16-9-11-28(12-10-16)14-20(29)25-13-15-5-7-17(24)8-6-15/h1-8,16H,9-14H2,(H,25,29)
InChIKeyFRJUONLEZBTIMO-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.02
Rot. Bonds6

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

2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 53152435) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID53152435
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC Name2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C22H22ClFN4O2/c23-19-4-2-1-3-18(19)21-26-22(30-27-21)16-9-11-28(12-10-16)14-20(29)25-13-15-5-7-17(24)8-6-15/h1-8,16H,9-14H2,(H,25,29)
InChIKeyFRJUONLEZBTIMO-UHFFFAOYSA-N
XLogP4.02
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152433
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
N-(2-methylphenyl)-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152298
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38154883
[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 648228
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95057690
N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526401
1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 136531424
N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95058066

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 53152435) is 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FRJUONLEZBTIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c23-19-4-2-1-3-18(19)21-26-22(30-27-21)16-9-11-28(12-10-16)14-20(29)25-13-15-5-7-17(24)8-6-15/h1-8,16H,9-14H2,(H,25,29).
What are the key properties of 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 428.90 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53152435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).