2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C21H25N3O3 — CID 71116229

IUPAC2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CNc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16(25)17-7-9-18(10-8-17)22-15-21(26)24-13-11-23(12-14-24)19-5-3-4-6-20(19)27-2/h3-10,22H,11-15H2,1-2H3
InChIKeySQWMJPJWLAWWTI-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 71116229) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID71116229
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)CNc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-16(25)17-7-9-18(10-8-17)22-15-21(26)24-13-11-23(12-14-24)19-5-3-4-6-20(19)27-2/h3-10,22H,11-15H2,1-2H3
InChIKeySQWMJPJWLAWWTI-UHFFFAOYSA-N
XLogP2.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004179
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
3-(3-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029494
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 90276084
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109029490
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 71116229) is 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)CNc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is SQWMJPJWLAWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)17-7-9-18(10-8-17)22-15-21(26)24-13-11-23(12-14-24)19-5-3-4-6-20(19)27-2/h3-10,22H,11-15H2,1-2H3.
What are the key properties of 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 367.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71116229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).