1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C22H19Cl2F3N4O2 — CID 38157294

IUPAC1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C22H19Cl2F3N4O2/c23-15-3-1-13(2-4-15)20-29-19(33-30-20)12-31-9-7-14(8-10-31)21(32)28-16-5-6-18(24)17(11-16)22(25,26)27/h1-6,11,14H,7-10,12H2,(H,28,32)
InChIKeyPJQYEJJERSQPDN-UHFFFAOYSA-N
MW499.32 g/mol
LogP5.91
Rot. Bonds5

About 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 38157294) has the molecular formula C22H19Cl2F3N4O2 and a molecular weight of 499.32 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID38157294
Molecular FormulaC22H19Cl2F3N4O2
Molecular Weight499.32 g/mol
Exact Mass498.08
IUPAC Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C22H19Cl2F3N4O2/c23-15-3-1-13(2-4-15)20-29-19(33-30-20)12-31-9-7-14(8-10-31)21(32)28-16-5-6-18(24)17(11-16)22(25,26)27/h1-6,11,14H,7-10,12H2,(H,28,32)
InChIKeyPJQYEJJERSQPDN-UHFFFAOYSA-N
XLogP5.91
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.32
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38157549
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38157257
N-(4-bromophenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38157029
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-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 38157053
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
N-(4-chlorophenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928217
N-(3-chloro-4-methylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148617
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-cyclopentyloxyphenyl)piperidine-4-carboxamide
CID 38158054
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38155610
N-(3-chloro-4-methoxyphenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151770
N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115240

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 38157294) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is PJQYEJJERSQPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N4O2/c23-15-3-1-13(2-4-15)20-29-19(33-30-20)12-31-9-7-14(8-10-31)21(32)28-16-5-6-18(24)17(11-16)22(25,26)27/h1-6,11,14H,7-10,12H2,(H,28,32).
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 499.32 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 38157294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).