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

C22H25N3O4 — CID 90276084

IUPAC2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CNc3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-16(26)17-3-7-19(8-4-17)23-15-21(27)24-11-13-25(14-12-24)22(28)18-5-9-20(29-2)10-6-18/h3-10,23H,11-15H2,1-2H3
InChIKeyVRGHLKSCYHUAOX-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.29
Rot. Bonds6

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

2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 90276084) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID90276084
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CNc3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-16(26)17-3-7-19(8-4-17)23-15-21(27)24-11-13-25(14-12-24)22(28)18-5-9-20(29-2)10-6-18/h3-10,23H,11-15H2,1-2H3
InChIKeyVRGHLKSCYHUAOX-UHFFFAOYSA-N
XLogP2.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119710193
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603348
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 108995454
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
4-butoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 38321399

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone (CID 90276084) is 2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone is COc1ccc(C(=O)N2CCN(C(=O)CNc3ccc(C(C)=O)cc3)CC2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is VRGHLKSCYHUAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16(26)17-3-7-19(8-4-17)23-15-21(27)24-11-13-25(14-12-24)22(28)18-5-9-20(29-2)10-6-18/h3-10,23H,11-15H2,1-2H3.
What are the key properties of 2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone?
2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 395.46 g/mol, XLogP of 2.29, 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-(4-methoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90276084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).