5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide

C22H32N4O2S — CID 131953994

About 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 131953994) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide
• PubChem CID: 131953994
• Molecular Formula: C22H32N4O2S
• Molecular Weight: 416.59 g/mol
• Exact Mass: 416.22
• IUPAC Name: 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1csc(C(C)N2CCC(N(C)C)CC2)c1
• InChI: InChI=1S/C22H32N4O2S/c1-14-10-15(2)24-22(28)19(14)12-23-21(27)17-11-20(29-13-17)16(3)26-8-6-18(7-9-26)25(4)5/h10-11,13,16,18-19H,6-9,12H2,1-5H3,(H,23,27)
• InChIKey: VEQXUDJSJPUWEJ-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.59
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide?

The IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide (CID 131953994) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide.

What is the SMILES notation for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide?

The canonical SMILES for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1csc(C(C)N2CCC(N(C)C)CC2)c1.

What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide?

The InChIKey is VEQXUDJSJPUWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-14-10-15(2)24-22(28)19(14)12-23-21(27)17-11-20(29-13-17)16(3)26-8-6-18(7-9-26)25(4)5/h10-11,13,16,18-19H,6-9,12H2,1-5H3,(H,23,27).

What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide?

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 416.59 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 131953994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).