2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide

C19H22Cl2N2OS — CID 55718125

About 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide

2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide (PubChem CID 55718125) has the molecular formula C19H22Cl2N2OS and a molecular weight of 397.37 g/mol. Its IUPAC name is 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide
• PubChem CID: 55718125
• Molecular Formula: C19H22Cl2N2OS
• Molecular Weight: 397.37 g/mol
• Exact Mass: 396.08
• IUPAC Name: 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide
• SMILES: CC1CCCN(Cc2ccccc2CNC(=O)c2cc(Cl)sc2Cl)C1
• InChI: InChI=1S/C19H22Cl2N2OS/c1-13-5-4-8-23(11-13)12-15-7-3-2-6-14(15)10-22-19(24)16-9-17(20)25-18(16)21/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3,(H,22,24)
• InChIKey: AFEIMYQOLWRHBD-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.37
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide?

The IUPAC name of 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide (CID 55718125) is 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide.

What is the SMILES notation for 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide?

The canonical SMILES for 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide is CC1CCCN(Cc2ccccc2CNC(=O)c2cc(Cl)sc2Cl)C1.

What is the InChIKey of 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide?

The InChIKey is AFEIMYQOLWRHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2OS/c1-13-5-4-8-23(11-13)12-15-7-3-2-6-14(15)10-22-19(24)16-9-17(20)25-18(16)21/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3,(H,22,24).

What are the key properties of 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide?

2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 397.37 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 55718125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).