N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide

C27H38N2O3 — CID 176579836

About N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide (PubChem CID 176579836) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
• PubChem CID: 176579836
• Molecular Formula: C27H38N2O3
• Molecular Weight: 438.61 g/mol
• Exact Mass: 438.29
• IUPAC Name: N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
• SMILES: CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCN(C(=O)C3CC3)CC2)c1)C1CCCCC1
• InChI: InChI=1S/C27H38N2O3/c1-18(2)25(30)24(20-7-4-3-5-8-20)28-26(31)23-10-6-9-22(17-23)19-13-15-29(16-14-19)27(32)21-11-12-21/h6,9-10,17-21,24H,3-5,7-8,11-16H2,1-2H3,(H,28,31)/t24-/m1/s1
• InChIKey: FRZMPNATOWQLMV-XMMPIXPASA-N
• XLogP: 4.71
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.61
LogP ≤ 5	4.71
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-(cyclopropanecarbonyl)piperidin-4-yl]benzamide?

The IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide (CID 176579836) is N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide.

What is the SMILES notation for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide?

The canonical SMILES for N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide is CC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCN(C(=O)C3CC3)CC2)c1)C1CCCCC1.

What is the InChIKey of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide?

The InChIKey is FRZMPNATOWQLMV-XMMPIXPASA-N. The full InChI is InChI=1S/C27H38N2O3/c1-18(2)25(30)24(20-7-4-3-5-8-20)28-26(31)23-10-6-9-22(17-23)19-13-15-29(16-14-19)27(32)21-11-12-21/h6,9-10,17-21,24H,3-5,7-8,11-16H2,1-2H3,(H,28,31)/t24-/m1/s1.

What are the key properties of N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide?

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide has a molecular weight of 438.61 g/mol, XLogP of 4.71, 7 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-(cyclopropanecarbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 176579836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).