2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide

C24H34F2N4O2 — CID 45243990

About 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide (PubChem CID 45243990) has the molecular formula C24H34F2N4O2 and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide
• PubChem CID: 45243990
• Molecular Formula: C24H34F2N4O2
• Molecular Weight: 448.56 g/mol
• Exact Mass: 448.26
• IUPAC Name: 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide
• SMILES: O=C(CC1C(=O)NCCN1Cc1cccc(F)c1F)NCC1(N2CCCCC2)CCCC1
• InChI: InChI=1S/C24H34F2N4O2/c25-19-8-6-7-18(22(19)26)16-29-14-11-27-23(32)20(29)15-21(31)28-17-24(9-2-3-10-24)30-12-4-1-5-13-30/h6-8,20H,1-5,9-17H2,(H,27,32)(H,28,31)
• InChIKey: KIACVOJRTQHUSQ-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.56
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide?

The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide (CID 45243990) is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide.

What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide?

The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide is O=C(CC1C(=O)NCCN1Cc1cccc(F)c1F)NCC1(N2CCCCC2)CCCC1.

What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide?

The InChIKey is KIACVOJRTQHUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N4O2/c25-19-8-6-7-18(22(19)26)16-29-14-11-27-23(32)20(29)15-21(31)28-17-24(9-2-3-10-24)30-12-4-1-5-13-30/h6-8,20H,1-5,9-17H2,(H,27,32)(H,28,31).

What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide?

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide has a molecular weight of 448.56 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 45243990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).