4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde

C18H24N4O3 — CID 109053495

IUPAC4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
SMILESCN1CCN(C(=O)c2cccc(C(=O)N3CCN(C=O)CC3)c2)CC1
InChIInChI=1S/C18H24N4O3/c1-19-5-9-21(10-6-19)17(24)15-3-2-4-16(13-15)18(25)22-11-7-20(14-23)8-12-22/h2-4,13-14H,5-12H2,1H3
InChIKeyKTBFDIUGUYUAGQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP-0.01
Rot. Bonds3

About 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde

4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde (PubChem CID 109053495) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
PubChem CID109053495
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
SMILESCN1CCN(C(=O)c2cccc(C(=O)N3CCN(C=O)CC3)c2)CC1
InChIInChI=1S/C18H24N4O3/c1-19-5-9-21(10-6-19)17(24)15-3-2-4-16(13-15)18(25)22-11-7-20(14-23)8-12-22/h2-4,13-14H,5-12H2,1H3
InChIKeyKTBFDIUGUYUAGQ-UHFFFAOYSA-N
XLogP-0.01
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053776
CID 174584749
CID 174584749
4-(3-nitrobenzoyl)piperazine-1-carbaldehyde
CID 774429
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053802
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053818
N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053814
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
(3-ethynylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 71239652

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde (CID 109053495) is 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde is CN1CCN(C(=O)c2cccc(C(=O)N3CCN(C=O)CC3)c2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde?
The InChIKey is KTBFDIUGUYUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-19-5-9-21(10-6-19)17(24)15-3-2-4-16(13-15)18(25)22-11-7-20(14-23)8-12-22/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde?
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde has a molecular weight of 344.41 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109053495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).