1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone

C14H19N3O2 — CID 16785939

IUPAC1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(N)c2C)CC1
InChIInChI=1S/C14H19N3O2/c1-10-12(4-3-5-13(10)15)14(19)17-8-6-16(7-9-17)11(2)18/h3-5H,6-9,15H2,1-2H3
InChIKeySQCKJAAUAMFVGL-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.88
Rot. Bonds1

About 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone

1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 16785939) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
PubChem CID16785939
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(N)c2C)CC1
InChIInChI=1S/C14H19N3O2/c1-10-12(4-3-5-13(10)15)14(19)17-8-6-16(7-9-17)11(2)18/h3-5H,6-9,15H2,1-2H3
InChIKeySQCKJAAUAMFVGL-UHFFFAOYSA-N
XLogP0.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.88
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

(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61115004
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
(3-amino-2-methylphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407203
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
1-[4-[(3-amino-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 43509104
aziridin-1-yl-(3-iodo-2-methylphenyl)methanone
CID 130616512
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146
(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 143389345

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone (CID 16785939) is 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccc(N)c2C)CC1.
What is the InChIKey of 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is SQCKJAAUAMFVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-12(4-3-5-13(10)15)14(19)17-8-6-16(7-9-17)11(2)18/h3-5H,6-9,15H2,1-2H3.
What are the key properties of 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone?
1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 16785939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).