2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide

C21H27N3O2 — CID 31477023

IUPAC2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-3-23-12-14-24(15-13-23)16-21(25)22-18-6-10-20(11-7-18)26-19-8-4-17(2)5-9-19/h4-11H,3,12-16H2,1-2H3,(H,22,25)
InChIKeyCMINZWGSQFOPTG-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.36
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide (PubChem CID 31477023) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
PubChem CID31477023
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-3-23-12-14-24(15-13-23)16-21(25)22-18-6-10-20(11-7-18)26-19-8-4-17(2)5-9-19/h4-11H,3,12-16H2,1-2H3,(H,22,25)
InChIKeyCMINZWGSQFOPTG-UHFFFAOYSA-N
XLogP3.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
2-(methylamino)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18084877

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide (CID 31477023) is 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide is CCN1CCN(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is CMINZWGSQFOPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-23-12-14-24(15-13-23)16-21(25)22-18-6-10-20(11-7-18)26-19-8-4-17(2)5-9-19/h4-11H,3,12-16H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 31477023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).