2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone

C21H26N2O3 — CID 78822334

IUPAC2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-22-11-12-23(19(15-22)16-7-5-4-6-8-16)21(24)14-17-13-18(25-2)9-10-20(17)26-3/h4-10,13,19H,11-12,14-15H2,1-3H3
InChIKeyOCOLEQBDPAQWRO-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.76
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone

2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone (PubChem CID 78822334) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
PubChem CID78822334
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-22-11-12-23(19(15-22)16-7-5-4-6-8-16)21(24)14-17-13-18(25-2)9-10-20(17)26-3/h4-10,13,19H,11-12,14-15H2,1-3H3
InChIKeyOCOLEQBDPAQWRO-UHFFFAOYSA-N
XLogP2.76
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 42932877
1-(4-methoxyphenyl)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42949160
(4R)-1-(4-methoxyphenyl)-4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 51724484
(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
(E)-3-(3-fluoro-4-methoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one
CID 42922875
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
(5R)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 125155692
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
CID 82846107

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone (CID 78822334) is 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone is COc1ccc(OC)c(CC(=O)N2CCN(C)CC2c2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The InChIKey is OCOLEQBDPAQWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22-11-12-23(19(15-22)16-7-5-4-6-8-16)21(24)14-17-13-18(25-2)9-10-20(17)26-3/h4-10,13,19H,11-12,14-15H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 78822334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).