N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide

C24H34N6O3 — CID 55628129

About N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide

N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (PubChem CID 55628129) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
• PubChem CID: 55628129
• Molecular Formula: C24H34N6O3
• Molecular Weight: 454.58 g/mol
• Exact Mass: 454.27
• IUPAC Name: N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
• SMILES: Cc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)NC(=O)NC4CCCC4)CC3)n2)cc1
• InChI: InChI=1S/C24H34N6O3/c1-16-8-10-19(11-9-16)21-26-23(33-28-21)18(3)30-14-12-29(13-15-30)17(2)22(31)27-24(32)25-20-6-4-5-7-20/h8-11,17-18,20H,4-7,12-15H2,1-3H3,(H2,25,27,31,32)
• InChIKey: IMEBDTXBFHGEAO-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 103.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.58
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?

The IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (CID 55628129) is N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.

What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?

The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide is Cc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)NC(=O)NC4CCCC4)CC3)n2)cc1.

What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?

The InChIKey is IMEBDTXBFHGEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-16-8-10-19(11-9-16)21-26-23(33-28-21)18(3)30-14-12-29(13-15-30)17(2)22(31)27-24(32)25-20-6-4-5-7-20/h8-11,17-18,20H,4-7,12-15H2,1-3H3,(H2,25,27,31,32).

What are the key properties of N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?

N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide has a molecular weight of 454.58 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55628129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).