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

C22H27N5O2S — CID 43935188

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

N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43935188) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 43935188
• Molecular Formula: C22H27N5O2S
• Molecular Weight: 425.56 g/mol
• Exact Mass: 425.19
• IUPAC Name: N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• SMILES: CN(CCNC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1)c1ccccc1
• InChI: InChI=1S/C22H27N5O2S/c1-26(18-8-3-2-4-9-18)13-11-23-22(28)17-7-5-12-27(15-17)16-20-24-21(25-29-20)19-10-6-14-30-19/h2-4,6,8-10,14,17H,5,7,11-13,15-16H2,1H3,(H,23,28)
• InChIKey: GMYVFZHVEQXDPS-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.56
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43935188) is N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is CN(CCNC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1)c1ccccc1.

What is the InChIKey of N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The InChIKey is GMYVFZHVEQXDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-26(18-8-3-2-4-9-18)13-11-23-22(28)17-7-5-12-27(15-17)16-20-24-21(25-29-20)19-10-6-14-30-19/h2-4,6,8-10,14,17H,5,7,11-13,15-16H2,1H3,(H,23,28).

What are the key properties of N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).