3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

C24H29N3O4S — CID 46151903

About 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (PubChem CID 46151903) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
• PubChem CID: 46151903
• Molecular Formula: C24H29N3O4S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.19
• IUPAC Name: 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
• SMILES: Cc1cccc(C(=O)NC(C(=O)N2CCOCC2)C2CCN(C(=O)c3cccs3)CC2)c1
• InChI: InChI=1S/C24H29N3O4S/c1-17-4-2-5-19(16-17)22(28)25-21(24(30)27-11-13-31-14-12-27)18-7-9-26(10-8-18)23(29)20-6-3-15-32-20/h2-6,15-16,18,21H,7-14H2,1H3,(H,25,28)
• InChIKey: QAEKSUGRYGFNLD-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?

The IUPAC name of 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (CID 46151903) is 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.

What is the SMILES notation for 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?

The canonical SMILES for 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is Cc1cccc(C(=O)NC(C(=O)N2CCOCC2)C2CCN(C(=O)c3cccs3)CC2)c1.

What is the InChIKey of 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?

The InChIKey is QAEKSUGRYGFNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-4-2-5-19(16-17)22(28)25-21(24(30)27-11-13-31-14-12-27)18-7-9-26(10-8-18)23(29)20-6-3-15-32-20/h2-6,15-16,18,21H,7-14H2,1H3,(H,25,28).

What are the key properties of 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?

3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide has a molecular weight of 455.58 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-morpholin-4-yl-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 46151903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).