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

C22H22Cl2N4O2 — CID 43929627

IUPACN-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C22H22Cl2N4O2/c1-14-5-2-3-7-17(14)21-26-20(30-27-21)13-28-10-4-6-15(12-28)22(29)25-16-8-9-18(23)19(24)11-16/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,25,29)
InChIKeyIALUEAPXAMVGDN-UHFFFAOYSA-N
MW445.35 g/mol
LogP5.20
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43929627) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43929627
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC NameN-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C22H22Cl2N4O2/c1-14-5-2-3-7-17(14)21-26-20(30-27-21)13-28-10-4-6-15(12-28)22(29)25-16-8-9-18(23)19(24)11-16/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,25,29)
InChIKeyIALUEAPXAMVGDN-UHFFFAOYSA-N
XLogP5.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933730
N-(3,4-dichlorophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930051
N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929651
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43933654
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 43929537
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43932116
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43933683
methyl 4-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43933682
N-(3,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930899
N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929592
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43929819
N-(3-chloro-4-methylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930808

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43929627) is N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is Cc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is IALUEAPXAMVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c1-14-5-2-3-7-17(14)21-26-20(30-27-21)13-28-10-4-6-15(12-28)22(29)25-16-8-9-18(23)19(24)11-16/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,25,29).
What are the key properties of N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 445.35 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).