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

C22H23ClN4O3 — CID 43929122

IUPACN-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1Cl
InChIInChI=1S/C22H23ClN4O3/c1-29-19-10-9-17(12-18(19)23)24-22(28)16-8-5-11-27(13-16)14-20-25-21(26-30-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3,(H,24,28)
InChIKeyJKCAHIHMILFOLU-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.25
Rot. Bonds6

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

N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43929122) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43929122
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1Cl
InChIInChI=1S/C22H23ClN4O3/c1-29-19-10-9-17(12-18(19)23)24-22(28)16-8-5-11-27(13-16)14-20-25-21(26-30-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3,(H,24,28)
InChIKeyJKCAHIHMILFOLU-UHFFFAOYSA-N
XLogP4.25
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 20873249
N-(3,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930899
N-(3-chloro-4-methylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930808
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
N-(3,4-dichlorophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930051
(3R)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 26772913
N-(4-acetamidophenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931254
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43932116
N-(3,4-difluorophenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931273
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
N-(3-chloro-4-methoxyphenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151770
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 38144044

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43929122) is N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is JKCAHIHMILFOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-29-19-10-9-17(12-18(19)23)24-22(28)16-8-5-11-27(13-16)14-20-25-21(26-30-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3,(H,24,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).