N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide

C23H34N4O3 — CID 45147062

About N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide

N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide (PubChem CID 45147062) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide.

Molecular Properties

• Compound Name: N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide
• PubChem CID: 45147062
• Molecular Formula: C23H34N4O3
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.26
• IUPAC Name: N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide
• SMILES: O=C(CC1(CC(=O)N2CCN(c3ccccn3)CC2)CCCC1)NCC1CCCO1
• InChI: InChI=1S/C23H34N4O3/c28-21(25-18-19-6-5-15-30-19)16-23(8-2-3-9-23)17-22(29)27-13-11-26(12-14-27)20-7-1-4-10-24-20/h1,4,7,10,19H,2-3,5-6,8-9,11-18H2,(H,25,28)
• InChIKey: DCFXSSSSEVPASJ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide?

The IUPAC name of N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide (CID 45147062) is N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide.

What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide?

The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide is O=C(CC1(CC(=O)N2CCN(c3ccccn3)CC2)CCCC1)NCC1CCCO1.

What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide?

The InChIKey is DCFXSSSSEVPASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c28-21(25-18-19-6-5-15-30-19)16-23(8-2-3-9-23)17-22(29)27-13-11-26(12-14-27)20-7-1-4-10-24-20/h1,4,7,10,19H,2-3,5-6,8-9,11-18H2,(H,25,28).

What are the key properties of N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide?

N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide is sourced from PubChem (CID 45147062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).