2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

C23H29N5O2S — CID 55701772

IUPAC2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCc1ccccc1-c1noc(CN2CCN(C(C)C(=O)NCCc3cccs3)CC2)n1
InChIInChI=1S/C23H29N5O2S/c1-17-6-3-4-8-20(17)22-25-21(30-26-22)16-27-11-13-28(14-12-27)18(2)23(29)24-10-9-19-7-5-15-31-19/h3-8,15,18H,9-14,16H2,1-2H3,(H,24,29)
InChIKeyCKNMEDZFOAALPJ-UHFFFAOYSA-N
MW439.59 g/mol
LogP2.97
Rot. Bonds8

About 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 55701772) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID55701772
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC Name2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCc1ccccc1-c1noc(CN2CCN(C(C)C(=O)NCCc3cccs3)CC2)n1
InChIInChI=1S/C23H29N5O2S/c1-17-6-3-4-8-20(17)22-25-21(30-26-22)16-27-11-13-28(14-12-27)18(2)23(29)24-10-9-19-7-5-15-31-19/h3-8,15,18H,9-14,16H2,1-2H3,(H,24,29)
InChIKeyCKNMEDZFOAALPJ-UHFFFAOYSA-N
XLogP2.97
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55627920
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
methyl 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetate
CID 34552390
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807578
(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 30666744
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
(2S)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8795096
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78815800
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
N-[2-(2-methylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8834788
N-butyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38132566

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (CID 55701772) is 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is Cc1ccccc1-c1noc(CN2CCN(C(C)C(=O)NCCc3cccs3)CC2)n1.
What is the InChIKey of 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is CKNMEDZFOAALPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-17-6-3-4-8-20(17)22-25-21(30-26-22)16-27-11-13-28(14-12-27)18(2)23(29)24-10-9-19-7-5-15-31-19/h3-8,15,18H,9-14,16H2,1-2H3,(H,24,29).
What are the key properties of 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 439.59 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 55701772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).