N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide

C25H33F3N2O3 — CID 176576947

About N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide (PubChem CID 176576947) has the molecular formula C25H33F3N2O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
• PubChem CID: 176576947
• Molecular Formula: C25H33F3N2O3
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.24
• IUPAC Name: N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
• SMILES: CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C(F)(F)F)C2)c1)C1CCCCC1
• InChI: InChI=1S/C25H33F3N2O3/c1-16(2)22(31)21(17-8-4-3-5-9-17)29-23(32)19-11-6-10-18(14-19)20-12-7-13-30(15-20)24(33)25(26,27)28/h6,10-11,14,16-17,20-21H,3-5,7-9,12-13,15H2,1-2H3,(H,29,32)/t20?,21-/m1/s1
• InChIKey: CVZLXLRPAWQHDP-BPGUCPLFSA-N
• XLogP: 4.86
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide?

The IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide (CID 176576947) is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide.

What is the SMILES notation for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide?

The canonical SMILES for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide is CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C(F)(F)F)C2)c1)C1CCCCC1.

What is the InChIKey of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide?

The InChIKey is CVZLXLRPAWQHDP-BPGUCPLFSA-N. The full InChI is InChI=1S/C25H33F3N2O3/c1-16(2)22(31)21(17-8-4-3-5-9-17)29-23(32)19-11-6-10-18(14-19)20-12-7-13-30(15-20)24(33)25(26,27)28/h6,10-11,14,16-17,20-21H,3-5,7-9,12-13,15H2,1-2H3,(H,29,32)/t20?,21-/m1/s1.

What are the key properties of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide?

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 176576947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).