N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide

C24H34F3N3O2 — CID 143229391

About N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide

N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 143229391) has the molecular formula C24H34F3N3O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 143229391
• Molecular Formula: C24H34F3N3O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.26
• IUPAC Name: N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(N2CCCC(CCCN(C=O)C3CCCCC3)C2)c(C(F)(F)F)c1
• InChI: InChI=1S/C24H34F3N3O2/c1-18(32)28-20-11-12-23(22(15-20)24(25,26)27)29-13-5-7-19(16-29)8-6-14-30(17-31)21-9-3-2-4-10-21/h11-12,15,17,19,21H,2-10,13-14,16H2,1H3,(H,28,32)
• InChIKey: MEMMQLVPBNJKJU-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide (CID 143229391) is N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(N2CCCC(CCCN(C=O)C3CCCCC3)C2)c(C(F)(F)F)c1.

What is the InChIKey of N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is MEMMQLVPBNJKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O2/c1-18(32)28-20-11-12-23(22(15-20)24(25,26)27)29-13-5-7-19(16-29)8-6-14-30(17-31)21-9-3-2-4-10-21/h11-12,15,17,19,21H,2-10,13-14,16H2,1H3,(H,28,32).

What are the key properties of N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide?

N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 453.55 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 143229391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).