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

C22H22ClFN4O2 — CID 56526401

IUPACN-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1)Nc1ccccc1Cl
InChIInChI=1S/C22H22ClFN4O2/c23-18-5-1-2-6-19(18)25-20(29)11-13-28-12-3-4-16(14-28)22-26-21(27-30-22)15-7-9-17(24)10-8-15/h1-2,5-10,16H,3-4,11-14H2,(H,25,29)
InChIKeyHCDMDBYVFSKQQC-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.74
Rot. Bonds6

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

N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide (PubChem CID 56526401) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
PubChem CID56526401
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC NameN-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1)Nc1ccccc1Cl
InChIInChI=1S/C22H22ClFN4O2/c23-18-5-1-2-6-19(18)25-20(29)11-13-28-12-3-4-16(14-28)22-26-21(27-30-22)15-7-9-17(24)10-8-15/h1-2,5-10,16H,3-4,11-14H2,(H,25,29)
InChIKeyHCDMDBYVFSKQQC-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454056
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981414
N-(4-chlorophenyl)-3-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526395
3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanoic acid
CID 119921434
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 52909470
(3R)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454055
(3S)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454054
(3R)-3-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95596844
N-(2-chlorophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46405467
[2-(benzylamino)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 68924464
2-(2-fluorophenyl)-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95148946

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide (CID 56526401) is N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide is O=C(CCN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide?
The InChIKey is HCDMDBYVFSKQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c23-18-5-1-2-6-19(18)25-20(29)11-13-28-12-3-4-16(14-28)22-26-21(27-30-22)15-7-9-17(24)10-8-15/h1-2,5-10,16H,3-4,11-14H2,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide?
N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide has a molecular weight of 428.90 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 56526401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).