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

C22H22ClFN4O2 — CID 132668566

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H22ClFN4O2/c23-18-7-5-16(6-8-18)21-26-20(30-27-21)12-25-22(29)17-2-1-11-28(14-17)13-15-3-9-19(24)10-4-15/h3-10,17H,1-2,11-14H2,(H,25,29)
InChIKeyHPLDXQJDVYWQIP-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.06
Rot. Bonds6

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 132668566) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID132668566
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H22ClFN4O2/c23-18-7-5-16(6-8-18)21-26-20(30-27-21)12-25-22(29)17-2-1-11-28(14-17)13-15-3-9-19(24)10-4-15/h3-10,17H,1-2,11-14H2,(H,25,29)
InChIKeyHPLDXQJDVYWQIP-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 86957880
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933169
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 43933510
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43931904
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43933597
N-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931917
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 43931605
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 43933300
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930960
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43933497
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 132664328
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43932658

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 132668566) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is HPLDXQJDVYWQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c23-18-7-5-16(6-8-18)21-26-20(30-27-21)12-25-22(29)17-2-1-11-28(14-17)13-15-3-9-19(24)10-4-15/h3-10,17H,1-2,11-14H2,(H,25,29).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 132668566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).