2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde

C18H23N5O3 — CID 171564653

IUPAC2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde
SMILESCN(/N=C\c1cc(N2CCNCC2)ccc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C18H23N5O3/c1-22(16-4-5-17(25)21-18(16)26)20-11-14-10-15(3-2-13(14)12-24)23-8-6-19-7-9-23/h2-3,10-12,16,19H,4-9H2,1H3,(H,21,25,26)/b20-11-
InChIKeyYGANFNIFWHETST-JAIQZWGSSA-N
MW357.41 g/mol
LogP-0.02
Rot. Bonds5

About 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde

2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde (PubChem CID 171564653) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde.

Molecular Properties

Compound Name2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde
PubChem CID171564653
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde
SMILESCN(/N=C\c1cc(N2CCNCC2)ccc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C18H23N5O3/c1-22(16-4-5-17(25)21-18(16)26)20-11-14-10-15(3-2-13(14)12-24)23-8-6-19-7-9-23/h2-3,10-12,16,19H,4-9H2,1H3,(H,21,25,26)/b20-11-
InChIKeyYGANFNIFWHETST-JAIQZWGSSA-N
XLogP-0.02
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde 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

3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
tert-butyl 4-(3,4-diformylphenyl)piperazine-1-carboxylate;3-(dimethylamino)piperidine-2,6-dione
CID 178099863
N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 155713621
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
CID 174298906
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 167091351
N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 176963217
5-[4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 176966871
N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 167190325
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 167470171
2-[2-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-3-formylphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetic acid
CID 166831880
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde?
The IUPAC name of 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde (CID 171564653) is 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde.
What is the SMILES notation for 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde?
The canonical SMILES for 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde is CN(/N=C\c1cc(N2CCNCC2)ccc1C=O)C1CCC(=O)NC1=O.
What is the InChIKey of 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde?
The InChIKey is YGANFNIFWHETST-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22(16-4-5-17(25)21-18(16)26)20-11-14-10-15(3-2-13(14)12-24)23-8-6-19-7-9-23/h2-3,10-12,16,19H,4-9H2,1H3,(H,21,25,26)/b20-11-.
What are the key properties of 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde?
2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde has a molecular weight of 357.41 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde is sourced from PubChem (CID 171564653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).