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

C26H29Cl2N5O3 — CID 43928470

IUPAC1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1
InChIInChI=1S/C26H29Cl2N5O3/c1-3-33(4-2)26(35)20-7-5-6-8-22(20)29-25(34)17-11-13-32(14-12-17)16-23-30-24(31-36-23)19-10-9-18(27)15-21(19)28/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,29,34)
InChIKeyXWNIUNLQVYDRKL-UHFFFAOYSA-N
MW530.46 g/mol
LogP5.38
Rot. Bonds8

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

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43928470) has the molecular formula C26H29Cl2N5O3 and a molecular weight of 530.46 g/mol. Its IUPAC name is 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43928470
Molecular FormulaC26H29Cl2N5O3
Molecular Weight530.46 g/mol
Exact Mass529.16
IUPAC Name1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1
InChIInChI=1S/C26H29Cl2N5O3/c1-3-33(4-2)26(35)20-7-5-6-8-22(20)29-25(34)17-11-13-32(14-12-17)16-23-30-24(31-36-23)19-10-9-18(27)15-21(19)28/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,29,34)
InChIKeyXWNIUNLQVYDRKL-UHFFFAOYSA-N
XLogP5.38
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43928321
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43928237
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 43928278
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38153957
N-(4-chlorophenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928217
N-[(2-chlorophenyl)methyl]-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928340
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 43928240
N-[2-(butylcarbamoyl)phenyl]-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38153961
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 43928450
N-cyclopropyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928283
N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928399
N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928410

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 43928470) is 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide is CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1.
What is the InChIKey of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is XWNIUNLQVYDRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N5O3/c1-3-33(4-2)26(35)20-7-5-6-8-22(20)29-25(34)17-11-13-32(14-12-17)16-23-30-24(31-36-23)19-10-9-18(27)15-21(19)28/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,29,34).
What are the key properties of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 530.46 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).