4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde

C12H20N4O3 — CID 108517141

IUPAC4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
SMILESCN1CCN(C(=O)C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H20N4O3/c1-13-2-6-15(7-3-13)11(18)12(19)16-8-4-14(10-17)5-9-16/h10H,2-9H2,1H3
InChIKeyJGJQUXYDYBWLCA-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.94
Rot. Bonds1

About 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde

4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde (PubChem CID 108517141) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
PubChem CID108517141
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
SMILESCN1CCN(C(=O)C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H20N4O3/c1-13-2-6-15(7-3-13)11(18)12(19)16-8-4-14(10-17)5-9-16/h10H,2-9H2,1H3
InChIKeyJGJQUXYDYBWLCA-UHFFFAOYSA-N
XLogP-1.94
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504066
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
CID 108861889
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777
N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide
CID 51386955
N-tert-butyl-4-formylpiperazine-1-carboxamide
CID 4995630
4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 108974246
1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 108503946

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde (CID 108517141) is 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde is CN1CCN(C(=O)C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde?
The InChIKey is JGJQUXYDYBWLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-13-2-6-15(7-3-13)11(18)12(19)16-8-4-14(10-17)5-9-16/h10H,2-9H2,1H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde?
4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde has a molecular weight of 268.32 g/mol, XLogP of -1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108517141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).