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

C21H27N3O3 — CID 120753647

IUPAC2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCOc1ccccc1C1CNCCN1CC(=O)NCCOc1ccccc1
InChIInChI=1S/C21H27N3O3/c1-26-20-10-6-5-9-18(20)19-15-22-11-13-24(19)16-21(25)23-12-14-27-17-7-3-2-4-8-17/h2-10,19,22H,11-16H2,1H3,(H,23,25)
InChIKeyBKKJWKDTTDIMOT-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.84
Rot. Bonds8

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

2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 120753647) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID120753647
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCOc1ccccc1C1CNCCN1CC(=O)NCCOc1ccccc1
InChIInChI=1S/C21H27N3O3/c1-26-20-10-6-5-9-18(20)19-15-22-11-13-24(19)16-21(25)23-12-14-27-17-7-3-2-4-8-17/h2-10,19,22H,11-16H2,1H3,(H,23,25)
InChIKeyBKKJWKDTTDIMOT-UHFFFAOYSA-N
XLogP1.84
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753574
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120753875
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753359
2-[[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 120754020
N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753885
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 120753860

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 120753647) is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide is COc1ccccc1C1CNCCN1CC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is BKKJWKDTTDIMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-20-10-6-5-9-18(20)19-15-22-11-13-24(19)16-21(25)23-12-14-27-17-7-3-2-4-8-17/h2-10,19,22H,11-16H2,1H3,(H,23,25).
What are the key properties of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.84, 8 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-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 120753647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).