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

C21H19F3N4O2 — CID 38151883

IUPACN-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C21H19F3N4O2/c22-15-3-1-13(2-4-15)20-26-19(30-27-20)12-28-9-7-14(8-10-28)21(29)25-18-6-5-16(23)11-17(18)24/h1-6,11,14H,7-10,12H2,(H,25,29)
InChIKeyICSCXXALGFQSBX-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.00
Rot. Bonds5

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

N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 38151883) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID38151883
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC NameN-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C21H19F3N4O2/c22-15-3-1-13(2-4-15)20-26-19(30-27-20)12-28-9-7-14(8-10-28)21(29)25-18-6-5-16(23)11-17(18)24/h1-6,11,14H,7-10,12H2,(H,25,29)
InChIKeyICSCXXALGFQSBX-UHFFFAOYSA-N
XLogP4.00
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 38146231
N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931691
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 38152069
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 38152040
N-(2,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149119
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43927808
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 33083933
N-(3-chloro-4-methoxyphenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151770
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38157005
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 38144361
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38157257

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 38151883) is N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is ICSCXXALGFQSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c22-15-3-1-13(2-4-15)20-26-19(30-27-20)12-28-9-7-14(8-10-28)21(29)25-18-6-5-16(23)11-17(18)24/h1-6,11,14H,7-10,12H2,(H,25,29).
What are the key properties of N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38151883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).