3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C25H34N2O2S — CID 45203929

About 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 45203929) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
• PubChem CID: 45203929
• Molecular Formula: C25H34N2O2S
• Molecular Weight: 426.63 g/mol
• Exact Mass: 426.23
• IUPAC Name: 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
• SMILES: Cc1ccccc1CN1CCC(CN(CC2CCCO2)C(=O)c2sccc2C)CC1
• InChI: InChI=1S/C25H34N2O2S/c1-19-6-3-4-7-22(19)17-26-12-9-21(10-13-26)16-27(18-23-8-5-14-29-23)25(28)24-20(2)11-15-30-24/h3-4,6-7,11,15,21,23H,5,8-10,12-14,16-18H2,1-2H3
• InChIKey: ZMVBGOLXYIYUTE-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.63
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?

The IUPAC name of 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 45203929) is 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

What is the SMILES notation for 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?

The canonical SMILES for 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is Cc1ccccc1CN1CCC(CN(CC2CCCO2)C(=O)c2sccc2C)CC1.

What is the InChIKey of 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?

The InChIKey is ZMVBGOLXYIYUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-19-6-3-4-7-22(19)17-26-12-9-21(10-13-26)16-27(18-23-8-5-14-29-23)25(28)24-20(2)11-15-30-24/h3-4,6-7,11,15,21,23H,5,8-10,12-14,16-18H2,1-2H3.

What are the key properties of 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?

3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 426.63 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45203929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).