2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide

C18H27N3O3 — CID 120753451

IUPAC2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCOc1ccccc1C1CNCCN1CC(=O)NC1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-23-17-5-3-2-4-15(17)16-12-19-8-9-21(16)13-18(22)20-14-6-10-24-11-7-14/h2-5,14,16,19H,6-13H2,1H3,(H,20,22)
InChIKeyJGLNQNJSZSKVEV-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide

2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 120753451) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID120753451
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
SMILESCOc1ccccc1C1CNCCN1CC(=O)NC1CCOCC1
InChIInChI=1S/C18H27N3O3/c1-23-17-5-3-2-4-15(17)16-12-19-8-9-21(16)13-18(22)20-14-6-10-24-11-7-14/h2-5,14,16,19H,6-13H2,1H3,(H,20,22)
InChIKeyJGLNQNJSZSKVEV-UHFFFAOYSA-N
XLogP0.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652
N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753392
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-(2,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754096
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 120753860
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide (CID 120753451) is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide is COc1ccccc1C1CNCCN1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is JGLNQNJSZSKVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-17-5-3-2-4-15(17)16-12-19-8-9-21(16)13-18(22)20-14-6-10-24-11-7-14/h2-5,14,16,19H,6-13H2,1H3,(H,20,22).
What are the key properties of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide?
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 120753451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).