2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone

C17H27N3O3 — CID 119915080

IUPAC2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
SMILESCCOc1ccc(OCCN(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H27N3O3/c1-3-22-15-4-6-16(7-5-15)23-13-12-19(2)14-17(21)20-10-8-18-9-11-20/h4-7,18H,3,8-14H2,1-2H3
InChIKeySDKYTFKHEMDCSS-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.83
Rot. Bonds8

About 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone

2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 119915080) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID119915080
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
SMILESCCOc1ccc(OCCN(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C17H27N3O3/c1-3-22-15-4-6-16(7-5-15)23-13-12-19(2)14-17(21)20-10-8-18-9-11-20/h4-7,18H,3,8-14H2,1-2H3
InChIKeySDKYTFKHEMDCSS-UHFFFAOYSA-N
XLogP0.83
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915397
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
2-[2-(3-bromo-5-fluorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 120965945
2-[2-(2,5-dimethylphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915450
2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55431470
4-ethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50776125
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 50788677
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
N-cyclopentyl-4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788659
4-ethoxy-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319253
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone (CID 119915080) is 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone is CCOc1ccc(OCCN(C)CC(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is SDKYTFKHEMDCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-22-15-4-6-16(7-5-15)23-13-12-19(2)14-17(21)20-10-8-18-9-11-20/h4-7,18H,3,8-14H2,1-2H3.
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone?
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 321.42 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 119915080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).