N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide

C20H25N3O3S — CID 50954287

About N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide

N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide (PubChem CID 50954287) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
• PubChem CID: 50954287
• Molecular Formula: C20H25N3O3S
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.16
• IUPAC Name: N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)(NC(=O)c1cccs1)C(=O)N1CCCC(OCc2ccccn2)C1
• InChI: InChI=1S/C20H25N3O3S/c1-20(2,22-18(24)17-9-6-12-27-17)19(25)23-11-5-8-16(13-23)26-14-15-7-3-4-10-21-15/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1-2H3,(H,22,24)
• InChIKey: HYULMUYYFUWTSJ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide (CID 50954287) is N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide is CC(C)(NC(=O)c1cccs1)C(=O)N1CCCC(OCc2ccccn2)C1.

What is the InChIKey of N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?

The InChIKey is HYULMUYYFUWTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-20(2,22-18(24)17-9-6-12-27-17)19(25)23-11-5-8-16(13-23)26-14-15-7-3-4-10-21-15/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1-2H3,(H,22,24).

What are the key properties of N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?

N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-1-oxo-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 50954287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).