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

C21H23ClN4O2S — CID 53278504

IUPAC1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN4O2S/c1-25(14-19-23-20(24-28-19)18-7-4-12-29-18)21(27)15-8-10-26(11-9-15)13-16-5-2-3-6-17(16)22/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyASRLXYAHTLSRIN-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.32
Rot. Bonds6

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

1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 53278504) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID53278504
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN4O2S/c1-25(14-19-23-20(24-28-19)18-7-4-12-29-18)21(27)15-8-10-26(11-9-15)13-16-5-2-3-6-17(16)22/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyASRLXYAHTLSRIN-UHFFFAOYSA-N
XLogP4.32
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50946857
N-cyclohexyl-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928927
(3R)-N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 95119116
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928606
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928668
N-methyl-4-[(3-methylpiperidin-1-yl)methyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 132663656
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 53277926
N-methyl-2-phenylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874859
(3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 43928880
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935314
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
2-(2-chlorophenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 46581611

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 53278504) is 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ASRLXYAHTLSRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-25(14-19-23-20(24-28-19)18-7-4-12-29-18)21(27)15-8-10-26(11-9-15)13-16-5-2-3-6-17(16)22/h2-7,12,15H,8-11,13-14H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 430.96 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53278504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).