N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide

C28H30FN5O3 — CID 3559116

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide (PubChem CID 3559116) has the molecular formula C28H30FN5O3 and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide
• PubChem CID: 3559116
• Molecular Formula: C28H30FN5O3
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.23
• IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide
• SMILES: Cc1oc(-c2ccccc2)nc1CC(=O)NC1(C(=O)NCCc2c[nH]c3ccc(F)cc23)CCNCC1
• InChI: InChI=1S/C28H30FN5O3/c1-18-24(33-26(37-18)19-5-3-2-4-6-19)16-25(35)34-28(10-13-30-14-11-28)27(36)31-12-9-20-17-32-23-8-7-21(29)15-22(20)23/h2-8,15,17,30,32H,9-14,16H2,1H3,(H,31,36)(H,34,35)
• InChIKey: ULLKXBIREFTXOM-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 112.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide?

The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide (CID 3559116) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide?

The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide is Cc1oc(-c2ccccc2)nc1CC(=O)NC1(C(=O)NCCc2c[nH]c3ccc(F)cc23)CCNCC1.

What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide?

The InChIKey is ULLKXBIREFTXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3/c1-18-24(33-26(37-18)19-5-3-2-4-6-19)16-25(35)34-28(10-13-30-14-11-28)27(36)31-12-9-20-17-32-23-8-7-21(29)15-22(20)23/h2-8,15,17,30,32H,9-14,16H2,1H3,(H,31,36)(H,34,35).

What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide?

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 3.41, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 3559116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).