N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide

C26H36FN3O3 — CID 176577887

About N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide

N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide (PubChem CID 176577887) has the molecular formula C26H36FN3O3 and a molecular weight of 457.59 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide
• PubChem CID: 176577887
• Molecular Formula: C26H36FN3O3
• Molecular Weight: 457.59 g/mol
• Exact Mass: 457.27
• IUPAC Name: N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide
• SMILES: CC(=O)[C@H](NC(=O)c1ccc(F)c(C2CCCN(C(=O)CNC3CC3)C2)c1)C1CCCCC1
• InChI: InChI=1S/C26H36FN3O3/c1-17(31)25(18-6-3-2-4-7-18)29-26(33)19-9-12-23(27)22(14-19)20-8-5-13-30(16-20)24(32)15-28-21-10-11-21/h9,12,14,18,20-21,25,28H,2-8,10-11,13,15-16H2,1H3,(H,29,33)/t20?,25-/m0/s1
• InChIKey: NXLHCDVPWWFQMG-KUXBLMNESA-N
• XLogP: 3.55
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.59
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide?

The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide (CID 176577887) is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide.

What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide?

The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide is CC(=O)[C@H](NC(=O)c1ccc(F)c(C2CCCN(C(=O)CNC3CC3)C2)c1)C1CCCCC1.

What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide?

The InChIKey is NXLHCDVPWWFQMG-KUXBLMNESA-N. The full InChI is InChI=1S/C26H36FN3O3/c1-17(31)25(18-6-3-2-4-7-18)29-26(33)19-9-12-23(27)22(14-19)20-8-5-13-30(16-20)24(32)15-28-21-10-11-21/h9,12,14,18,20-21,25,28H,2-8,10-11,13,15-16H2,1H3,(H,29,33)/t20?,25-/m0/s1.

What are the key properties of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide?

N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide has a molecular weight of 457.59 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 176577887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).