2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride

C21H26ClN3O4 — CID 119710193

IUPAC2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)CNc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-12-16(13-19(14-18)28-2)21(26)24-10-8-23(9-11-24)20(25)15-22-17-6-4-3-5-7-17;/h3-7,12-14,22H,8-11,15H2,1-2H3;1H
InChIKeyLVGMKSYVIHJXMR-UHFFFAOYSA-N
MW419.91 g/mol
LogP2.52
Rot. Bonds6

About 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride

2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119710193) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119710193
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC Name2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)CNc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-12-16(13-19(14-18)28-2)21(26)24-10-8-23(9-11-24)20(25)15-22-17-6-4-3-5-7-17;/h3-7,12-14,22H,8-11,15H2,1-2H3;1H
InChIKeyLVGMKSYVIHJXMR-UHFFFAOYSA-N
XLogP2.52
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
3-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949482
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 90276084
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 32824583
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride (CID 119710193) is 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride is COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNc3ccccc3)CC2)c1.Cl.
What is the InChIKey of 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is LVGMKSYVIHJXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4.ClH/c1-27-18-12-16(13-19(14-18)28-2)21(26)24-10-8-23(9-11-24)20(25)15-22-17-6-4-3-5-7-17;/h3-7,12-14,22H,8-11,15H2,1-2H3;1H.
What are the key properties of 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride?
2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119710193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).