4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C33H43N5O2S — CID 11706869

About 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 11706869) has the molecular formula C33H43N5O2S and a molecular weight of 573.81 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
• PubChem CID: 11706869
• Molecular Formula: C33H43N5O2S
• Molecular Weight: 573.81 g/mol
• Exact Mass: 573.31
• IUPAC Name: 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
• SMILES: COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(C3CCCN(Cc4ccccc4)C3)CC2)n1
• InChI: InChI=1S/C33H43N5O2S/c1-40-31-15-14-27(26-11-6-3-7-12-26)21-29(31)30-24-41-32(34-30)35-33(39)38-19-17-37(18-20-38)28-13-8-16-36(23-28)22-25-9-4-2-5-10-25/h2,4-5,9-10,14-15,21,24,26,28H,3,6-8,11-13,16-20,22-23H2,1H3,(H,34,35,39)
• InChIKey: MRYLCFQBZNBVHY-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 60.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.81
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?

The IUPAC name of 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 11706869) is 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

What is the SMILES notation for 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?

The canonical SMILES for 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(C3CCCN(Cc4ccccc4)C3)CC2)n1.

What is the InChIKey of 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?

The InChIKey is MRYLCFQBZNBVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O2S/c1-40-31-15-14-27(26-11-6-3-7-12-26)21-29(31)30-24-41-32(34-30)35-33(39)38-19-17-37(18-20-38)28-13-8-16-36(23-28)22-25-9-4-2-5-10-25/h2,4-5,9-10,14-15,21,24,26,28H,3,6-8,11-13,16-20,22-23H2,1H3,(H,34,35,39).

What are the key properties of 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?

4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 573.81 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzylpiperidin-3-yl)-N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 11706869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).