4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one

C15H21N3O2 — CID 104529030

IUPAC4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(C)C(=O)C2(C)C)cc1N
InChIInChI=1S/C15H21N3O2/c1-10(19)12-6-5-11(9-13(12)16)18-8-7-17(4)14(20)15(18,2)3/h5-6,9H,7-8,16H2,1-4H3
InChIKeyJRYRLHLDLPKVSO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.53
Rot. Bonds2

About 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one

4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one (PubChem CID 104529030) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one
PubChem CID104529030
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(C)C(=O)C2(C)C)cc1N
InChIInChI=1S/C15H21N3O2/c1-10(19)12-6-5-11(9-13(12)16)18-8-7-17(4)14(20)15(18,2)3/h5-6,9H,7-8,16H2,1-4H3
InChIKeyJRYRLHLDLPKVSO-UHFFFAOYSA-N
XLogP1.53
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 104528829
1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 113433026
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone
CID 102742841
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
5-amino-3-chloro-2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)benzoic acid
CID 107196321
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
4-(3-acetyl-4-aminophenyl)piperazine-2,6-dione
CID 113433052
1-[2-amino-4-(3,5-dimethylpiperazin-1-yl)phenyl]ethanone
CID 69195971
1-[2-amino-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanone
CID 113423171
1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone
CID 104528423

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one (CID 104529030) is 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one is CC(=O)c1ccc(N2CCN(C)C(=O)C2(C)C)cc1N.
What is the InChIKey of 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one?
The InChIKey is JRYRLHLDLPKVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(19)12-6-5-11(9-13(12)16)18-8-7-17(4)14(20)15(18,2)3/h5-6,9H,7-8,16H2,1-4H3.
What are the key properties of 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one?
4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 104529030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).