N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

C22H26FN5O3S — CID 55779179

About N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (PubChem CID 55779179) has the molecular formula C22H26FN5O3S and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
• PubChem CID: 55779179
• Molecular Formula: C22H26FN5O3S
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.17
• IUPAC Name: N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
• SMILES: O=C(NCCc1ccccc1F)C1CCN(C(=O)Cc2csc(N3CCNC3=O)n2)CC1
• InChI: InChI=1S/C22H26FN5O3S/c23-18-4-2-1-3-15(18)5-8-24-20(30)16-6-10-27(11-7-16)19(29)13-17-14-32-22(26-17)28-12-9-25-21(28)31/h1-4,14,16H,5-13H2,(H,24,30)(H,25,31)
• InChIKey: CELPTZMNDPMBLX-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?

The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (CID 55779179) is N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?

The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)Cc2csc(N3CCNC3=O)n2)CC1.

What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?

The InChIKey is CELPTZMNDPMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3S/c23-18-4-2-1-3-15(18)5-8-24-20(30)16-6-10-27(11-7-16)19(29)13-17-14-32-22(26-17)28-12-9-25-21(28)31/h1-4,14,16H,5-13H2,(H,24,30)(H,25,31).

What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?

N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55779179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).