2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide

C26H30ClN3O2 — CID 69353335

About 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide

2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (PubChem CID 69353335) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
• PubChem CID: 69353335
• Molecular Formula: C26H30ClN3O2
• Molecular Weight: 452.00 g/mol
• Exact Mass: 451.20
• IUPAC Name: 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
• SMILES: Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CCl)c4)CC3)cccc2n1
• InChI: InChI=1S/C26H30ClN3O2/c1-19-8-9-23-24(28-19)6-3-7-25(23)32-15-14-30-12-10-20(11-13-30)16-21-4-2-5-22(17-21)29-26(31)18-27/h2-9,17,20H,10-16,18H2,1H3,(H,29,31)
• InChIKey: RTAPUHICBJUENP-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.00
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?

The IUPAC name of 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (CID 69353335) is 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.

What is the SMILES notation for 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?

The canonical SMILES for 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CCl)c4)CC3)cccc2n1.

What is the InChIKey of 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?

The InChIKey is RTAPUHICBJUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c1-19-8-9-23-24(28-19)6-3-7-25(23)32-15-14-30-12-10-20(11-13-30)16-21-4-2-5-22(17-21)29-26(31)18-27/h2-9,17,20H,10-16,18H2,1H3,(H,29,31).

What are the key properties of 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?

2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 452.00 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 69353335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).