5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide

C17H21N5O3S — CID 122253584

About 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide

5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 122253584) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
• PubChem CID: 122253584
• Molecular Formula: C17H21N5O3S
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.14
• IUPAC Name: 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
• SMILES: COc1nc(CNC(=O)c2ccc(C(C)=O)s2)nc(N2CCCCC2)n1
• InChI: InChI=1S/C17H21N5O3S/c1-11(23)12-6-7-13(26-12)15(24)18-10-14-19-16(21-17(20-14)25-2)22-8-4-3-5-9-22/h6-7H,3-5,8-10H2,1-2H3,(H,18,24)
• InChIKey: WNNFQWMSCGKJKK-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?

The IUPAC name of 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide (CID 122253584) is 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide is COc1nc(CNC(=O)c2ccc(C(C)=O)s2)nc(N2CCCCC2)n1.

What is the InChIKey of 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?

The InChIKey is WNNFQWMSCGKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-11(23)12-6-7-13(26-12)15(24)18-10-14-19-16(21-17(20-14)25-2)22-8-4-3-5-9-22/h6-7H,3-5,8-10H2,1-2H3,(H,18,24).

What are the key properties of 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?

5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 122253584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).