1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide

C23H38N4OS — CID 56582571

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide (PubChem CID 56582571) has the molecular formula C23H38N4OS and a molecular weight of 418.65 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
• PubChem CID: 56582571
• Molecular Formula: C23H38N4OS
• Molecular Weight: 418.65 g/mol
• Exact Mass: 418.28
• IUPAC Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
• SMILES: Cc1nc(CN2CCC(C(=O)NCC3(N4CCCCC4)CCCCC3)CC2)cs1
• InChI: InChI=1S/C23H38N4OS/c1-19-25-21(17-29-19)16-26-14-8-20(9-15-26)22(28)24-18-23(10-4-2-5-11-23)27-12-6-3-7-13-27/h17,20H,2-16,18H2,1H3,(H,24,28)
• InChIKey: ZJYBEJCDZXSKCR-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 48.47 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	418.65
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide (CID 56582571) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)NCC3(N4CCCCC4)CCCCC3)CC2)cs1.

What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide?

The InChIKey is ZJYBEJCDZXSKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4OS/c1-19-25-21(17-29-19)16-26-14-8-20(9-15-26)22(28)24-18-23(10-4-2-5-11-23)27-12-6-3-7-13-27/h17,20H,2-16,18H2,1H3,(H,24,28).

What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide?

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide has a molecular weight of 418.65 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56582571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).