2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone

C18H27N3O2 — CID 83979107

IUPAC2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
SMILESCCOc1ccccc1C(C(=O)N1CCCC1)N1CCNCC1
InChIInChI=1S/C18H27N3O2/c1-2-23-16-8-4-3-7-15(16)17(20-13-9-19-10-14-20)18(22)21-11-5-6-12-21/h3-4,7-8,17,19H,2,5-6,9-14H2,1H3
InChIKeyWZMASTQYDBQAHW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone

2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone (PubChem CID 83979107) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
PubChem CID83979107
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
SMILESCCOc1ccccc1C(C(=O)N1CCCC1)N1CCNCC1
InChIInChI=1S/C18H27N3O2/c1-2-23-16-8-4-3-7-15(16)17(20-13-9-19-10-14-20)18(22)21-11-5-6-12-21/h3-4,7-8,17,19H,2,5-6,9-14H2,1H3
InChIKeyWZMASTQYDBQAHW-UHFFFAOYSA-N
XLogP1.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone
CID 83979104
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
(2-ethoxyphenyl) 1,4-diazepane-1-carboxylate
CID 82303733
1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
CID 3742579
1-[(2-ethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3742611
(3R)-3-(2-ethoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189996
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979355
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 83979111

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone (CID 83979107) is 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone is CCOc1ccccc1C(C(=O)N1CCCC1)N1CCNCC1.
What is the InChIKey of 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is WZMASTQYDBQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-23-16-8-4-3-7-15(16)17(20-13-9-19-10-14-20)18(22)21-11-5-6-12-21/h3-4,7-8,17,19H,2,5-6,9-14H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone?
2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 317.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 83979107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).