2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride

C25H38Cl2N4O — CID 67037773

About 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride

2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 67037773) has the molecular formula C25H38Cl2N4O and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride
• PubChem CID: 67037773
• Molecular Formula: C25H38Cl2N4O
• Molecular Weight: 481.51 g/mol
• Exact Mass: 480.24
• IUPAC Name: 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride
• SMILES: Cc1nn(-c2ccccc2)c(C)c1CN1CCC(NC(=O)CC2CCCCC2)CC1.Cl.Cl
• InChI: InChI=1S/C25H36N4O.2ClH/c1-19-24(20(2)29(27-19)23-11-7-4-8-12-23)18-28-15-13-22(14-16-28)26-25(30)17-21-9-5-3-6-10-21;;/h4,7-8,11-12,21-22H,3,5-6,9-10,13-18H2,1-2H3,(H,26,30);2*1H
• InChIKey: WMWPNSZOEYTRRD-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride?

The IUPAC name of 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride (CID 67037773) is 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride.

What is the SMILES notation for 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride?

The canonical SMILES for 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride is Cc1nn(-c2ccccc2)c(C)c1CN1CCC(NC(=O)CC2CCCCC2)CC1.Cl.Cl.

What is the InChIKey of 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride?

The InChIKey is WMWPNSZOEYTRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O.2ClH/c1-19-24(20(2)29(27-19)23-11-7-4-8-12-23)18-28-15-13-22(14-16-28)26-25(30)17-21-9-5-3-6-10-21;;/h4,7-8,11-12,21-22H,3,5-6,9-10,13-18H2,1-2H3,(H,26,30);2*1H.

What are the key properties of 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride?

2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 481.51 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 67037773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).