propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate

C24H36FN3O3 — CID 143229718

About propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate

propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate (PubChem CID 143229718) has the molecular formula C24H36FN3O3 and a molecular weight of 433.57 g/mol. Its IUPAC name is propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate.

Molecular Properties

• Compound Name: propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate
• PubChem CID: 143229718
• Molecular Formula: C24H36FN3O3
• Molecular Weight: 433.57 g/mol
• Exact Mass: 433.27
• IUPAC Name: propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate
• SMILES: CCCOC(=O)Nc1ccc(N2CCCC(CCN(C=O)C3CCCCC3)C2)c(F)c1
• InChI: InChI=1S/C24H36FN3O3/c1-2-15-31-24(30)26-20-10-11-23(22(25)16-20)27-13-6-7-19(17-27)12-14-28(18-29)21-8-4-3-5-9-21/h10-11,16,18-19,21H,2-9,12-15,17H2,1H3,(H,26,30)
• InChIKey: GHDZWHLMGOPGOZ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.57
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate?

The IUPAC name of propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate (CID 143229718) is propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate.

What is the SMILES notation for propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate?

The canonical SMILES for propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate is CCCOC(=O)Nc1ccc(N2CCCC(CCN(C=O)C3CCCCC3)C2)c(F)c1.

What is the InChIKey of propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate?

The InChIKey is GHDZWHLMGOPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3O3/c1-2-15-31-24(30)26-20-10-11-23(22(25)16-20)27-13-6-7-19(17-27)12-14-28(18-29)21-8-4-3-5-9-21/h10-11,16,18-19,21H,2-9,12-15,17H2,1H3,(H,26,30).

What are the key properties of propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate?

propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate has a molecular weight of 433.57 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate is sourced from PubChem (CID 143229718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).