2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

C22H27N3O4 — CID 120667079

IUPAC2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-15-4-6-16(7-5-15)20(23)22(27)25-10-8-24(9-11-25)21(26)17-12-18(28-2)14-19(13-17)29-3/h4-7,12-14,20H,8-11,23H2,1-3H3
InChIKeyVZIAEBBZXJRAFJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.00
Rot. Bonds5

About 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 120667079) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID120667079
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-15-4-6-16(7-5-15)20(23)22(27)25-10-8-24(9-11-25)21(26)17-12-18(28-2)14-19(13-17)29-3/h4-7,12-14,20H,8-11,23H2,1-3H3
InChIKeyVZIAEBBZXJRAFJ-UHFFFAOYSA-N
XLogP2.00
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668170
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120670166
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667469
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 32824583
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
(2S)-2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119710221
2-amino-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667526
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 120666745
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 120668047
2-[1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 55590484
3-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949482

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 120667079) is 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(N)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is VZIAEBBZXJRAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-4-6-16(7-5-15)20(23)22(27)25-10-8-24(9-11-25)21(26)17-12-18(28-2)14-19(13-17)29-3/h4-7,12-14,20H,8-11,23H2,1-3H3.
What are the key properties of 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 397.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 120667079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).