1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea

C26H32ClFN4O — CID 67784696

About 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea

1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea (PubChem CID 67784696) has the molecular formula C26H32ClFN4O and a molecular weight of 471.02 g/mol. Its IUPAC name is 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea.

Molecular Properties

• Compound Name: 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea
• PubChem CID: 67784696
• Molecular Formula: C26H32ClFN4O
• Molecular Weight: 471.02 g/mol
• Exact Mass: 470.22
• IUPAC Name: 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea
• SMILES: CCCNC(=O)N(C)CCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1
• InChI: InChI=1S/C26H32ClFN4O/c1-3-12-29-26(33)30(2)15-16-31-13-10-19(11-14-31)24-18-32(22-7-5-21(28)6-8-22)25-17-20(27)4-9-23(24)25/h4-9,17-19H,3,10-16H2,1-2H3,(H,29,33)
• InChIKey: YDQSUSQRWYDYCH-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 40.51 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	471.02
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea?

The IUPAC name of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea (CID 67784696) is 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea.

What is the SMILES notation for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea?

The canonical SMILES for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea is CCCNC(=O)N(C)CCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1.

What is the InChIKey of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea?

The InChIKey is YDQSUSQRWYDYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClFN4O/c1-3-12-29-26(33)30(2)15-16-31-13-10-19(11-14-31)24-18-32(22-7-5-21(28)6-8-22)25-17-20(27)4-9-23(24)25/h4-9,17-19H,3,10-16H2,1-2H3,(H,29,33).

What are the key properties of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea?

1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea has a molecular weight of 471.02 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea is sourced from PubChem (CID 67784696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).