1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone

C21H29N3O2 — CID 86966442

IUPAC1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
SMILESCCC1CN(C(=O)Cc2ccc(-n3cccc3)cc2)CCN1CCOC
InChIInChI=1S/C21H29N3O2/c1-3-19-17-24(13-12-23(19)14-15-26-2)21(25)16-18-6-8-20(9-7-18)22-10-4-5-11-22/h4-11,19H,3,12-17H2,1-2H3
InChIKeyNHUXFVOZOKSHKU-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.59
Rot. Bonds7

About 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone

1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone (PubChem CID 86966442) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
PubChem CID86966442
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
SMILESCCC1CN(C(=O)Cc2ccc(-n3cccc3)cc2)CCN1CCOC
InChIInChI=1S/C21H29N3O2/c1-3-19-17-24(13-12-23(19)14-15-26-2)21(25)16-18-6-8-20(9-7-18)22-10-4-5-11-22/h4-11,19H,3,12-17H2,1-2H3
InChIKeyNHUXFVOZOKSHKU-UHFFFAOYSA-N
XLogP2.59
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
CID 86966362
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86966440
2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 166324544
1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119880349
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 86966390
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-pyrrol-1-ylphenyl)ethanone
CID 131961363
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
CID 46422555
4-[2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoethyl]benzenecarbothioamide
CID 63619801
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 71875566
(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880395
(5-amino-2-methylphenyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120646440

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone?
The IUPAC name of 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone (CID 86966442) is 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone.
What is the SMILES notation for 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone?
The canonical SMILES for 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone is CCC1CN(C(=O)Cc2ccc(-n3cccc3)cc2)CCN1CCOC.
What is the InChIKey of 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone?
The InChIKey is NHUXFVOZOKSHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-19-17-24(13-12-23(19)14-15-26-2)21(25)16-18-6-8-20(9-7-18)22-10-4-5-11-22/h4-11,19H,3,12-17H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone?
1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone has a molecular weight of 355.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone is sourced from PubChem (CID 86966442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).