1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione

C16H22N2O2 — CID 94283329

IUPAC1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione
SMILESCC(C)c1ccc(C(=O)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(2)13-4-6-14(7-5-13)15(19)16(20)18-10-8-17(3)9-11-18/h4-7,12H,8-11H2,1-3H3
InChIKeyBVGUWSSMUHZYQL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.77
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione

1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione (PubChem CID 94283329) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione
PubChem CID94283329
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione
SMILESCC(C)c1ccc(C(=O)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(2)13-4-6-14(7-5-13)15(19)16(20)18-10-8-17(3)9-11-18/h4-7,12H,8-11H2,1-3H3
InChIKeyBVGUWSSMUHZYQL-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
4-methyl-N-[1-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 108880576
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
(2S)-2-(4-methylpiperazin-1-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 680060
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione (CID 94283329) is 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione is CC(C)c1ccc(C(=O)C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione?
The InChIKey is BVGUWSSMUHZYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)13-4-6-14(7-5-13)15(19)16(20)18-10-8-17(3)9-11-18/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione?
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione has a molecular weight of 274.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione is sourced from PubChem (CID 94283329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).