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

C28H40N2O3 — CID 176579413

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

3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide (PubChem CID 176579413) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is 3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide.

Molecular Properties

• Compound Name: 3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
• PubChem CID: 176579413
• Molecular Formula: C28H40N2O3
• Molecular Weight: 452.64 g/mol
• Exact Mass: 452.30
• IUPAC Name: 3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
• SMILES: CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C3CCC3)C2)c1)C1CCCCC1
• InChI: InChI=1S/C28H40N2O3/c1-19(2)26(31)25(20-9-4-3-5-10-20)29-27(32)23-14-7-13-22(17-23)24-15-8-16-30(18-24)28(33)21-11-6-12-21/h7,13-14,17,19-21,24-25H,3-6,8-12,15-16,18H2,1-2H3,(H,29,32)/t24?,25-/m1/s1
• InChIKey: DUPGDUXGFYASKX-WUBHUQEYSA-N
• XLogP: 5.10
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.64
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide (CID 176579413) is 3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide.

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

The canonical SMILES for 3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide is CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C3CCC3)C2)c1)C1CCCCC1.

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

The InChIKey is DUPGDUXGFYASKX-WUBHUQEYSA-N. The full InChI is InChI=1S/C28H40N2O3/c1-19(2)26(31)25(20-9-4-3-5-10-20)29-27(32)23-14-7-13-22(17-23)24-15-8-16-30(18-24)28(33)21-11-6-12-21/h7,13-14,17,19-21,24-25H,3-6,8-12,15-16,18H2,1-2H3,(H,29,32)/t24?,25-/m1/s1.

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

3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide has a molecular weight of 452.64 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide is sourced from PubChem (CID 176579413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).