2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone

C18H27N3O3 — CID 83979104

IUPAC2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone
SMILESCCOc1ccccc1C(C(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C18H27N3O3/c1-2-24-16-6-4-3-5-15(16)17(20-9-7-19-8-10-20)18(22)21-11-13-23-14-12-21/h3-6,17,19H,2,7-14H2,1H3
InChIKeyPHZZHPRWHPJTQN-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.89
Rot. Bonds5

About 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone

2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone (PubChem CID 83979104) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone
PubChem CID83979104
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone
SMILESCCOc1ccccc1C(C(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C18H27N3O3/c1-2-24-16-6-4-3-5-15(16)17(20-9-7-19-8-10-20)18(22)21-11-13-23-14-12-21/h3-6,17,19H,2,7-14H2,1H3
InChIKeyPHZZHPRWHPJTQN-UHFFFAOYSA-N
XLogP0.89
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
CID 83979107
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
CID 3742579
(3R)-3-(2-ethoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189996
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 83979111
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-ethoxy-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171284023
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone?
The IUPAC name of 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone (CID 83979104) is 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone?
The canonical SMILES for 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone is CCOc1ccccc1C(C(=O)N1CCOCC1)N1CCNCC1.
What is the InChIKey of 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone?
The InChIKey is PHZZHPRWHPJTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-24-16-6-4-3-5-15(16)17(20-9-7-19-8-10-20)18(22)21-11-13-23-14-12-21/h3-6,17,19H,2,7-14H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone?
2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone has a molecular weight of 333.43 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone is sourced from PubChem (CID 83979104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).