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

C20H18ClFN4O2 — CID 121069742

IUPACN-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C20H18ClFN4O2/c21-15-4-1-5-17(11-15)23-20(27)26-10-2-3-14(12-26)19-25-24-18(28-19)13-6-8-16(22)9-7-13/h1,4-9,11,14H,2-3,10,12H2,(H,23,27)
InChIKeyBCXPWACKWMIWAS-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.94
Rot. Bonds3

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

N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 121069742) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID121069742
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC NameN-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C20H18ClFN4O2/c21-15-4-1-5-17(11-15)23-20(27)26-10-2-3-14(12-26)19-25-24-18(28-19)13-6-8-16(22)9-7-13/h1,4-9,11,14H,2-3,10,12H2,(H,23,27)
InChIKeyBCXPWACKWMIWAS-UHFFFAOYSA-N
XLogP4.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069364
(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 51696692
(3R)-N-(4-fluorophenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 30863766
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 51696702
3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121069705
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 121069721
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 121069413

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 121069742) is N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is BCXPWACKWMIWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-15-4-1-5-17(11-15)23-20(27)26-10-2-3-14(12-26)19-25-24-18(28-19)13-6-8-16(22)9-7-13/h1,4-9,11,14H,2-3,10,12H2,(H,23,27).
What are the key properties of N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 121069742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).