1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C16H23N3O2 — CID 119708838

IUPAC1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)15(21)19-9-7-18(8-10-19)14(20)12-5-4-6-13(17)11-12/h4-6,11H,7-10,17H2,1-3H3
InChIKeySKQDVGWXOWYYLZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds1

About 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 119708838) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID119708838
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)15(21)19-9-7-18(8-10-19)14(20)12-5-4-6-13(17)11-12/h4-6,11H,7-10,17H2,1-3H3
InChIKeySKQDVGWXOWYYLZ-UHFFFAOYSA-N
XLogP1.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
2,2-dimethyl-1-[4-[3-(methylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 134021641
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
1-[4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807298
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
(3-aminophenyl)-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119887331

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 119708838) is 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SKQDVGWXOWYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)15(21)19-9-7-18(8-10-19)14(20)12-5-4-6-13(17)11-12/h4-6,11H,7-10,17H2,1-3H3.
What are the key properties of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 289.38 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 119708838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).