N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane

C25H38N4O3 — CID 170737766

IUPACN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane
SMILESCC1CCCCC1.CN1CCN(CC(=O)Nc2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H24N4O3.C7H14/c1-21-8-10-22(11-9-21)12-17(24)19-14-4-2-13(3-5-14)15-6-7-16(23)20-18(15)25;1-7-5-3-2-4-6-7/h2-5,15H,6-12H2,1H3,(H,19,24)(H,20,23,25);7H,2-6H2,1H3
InChIKeyWPJJCKPBUAWKMO-UHFFFAOYSA-N
MW442.60 g/mol
LogP2.98
Rot. Bonds4

About N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane

N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane (PubChem CID 170737766) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane.

Molecular Properties

Compound NameN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane
PubChem CID170737766
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC NameN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane
SMILESCC1CCCCC1.CN1CCN(CC(=O)Nc2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H24N4O3.C7H14/c1-21-8-10-22(11-9-21)12-17(24)19-14-4-2-13(3-5-14)15-6-7-16(23)20-18(15)25;1-7-5-3-2-4-6-7/h2-5,15H,6-12H2,1H3,(H,19,24)(H,20,23,25);7H,2-6H2,1H3
InChIKeyWPJJCKPBUAWKMO-UHFFFAOYSA-N
XLogP2.98
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane 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

N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide
CID 171406891
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 166553665
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
5-(3-cyclohexyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile;N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;fluoroform;molecular hydrogen
CID 166553635
2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
CID 166553748
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
CID 110314916
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione
CID 178015398

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane?
The IUPAC name of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane (CID 170737766) is N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane.
What is the SMILES notation for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane?
The canonical SMILES for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane is CC1CCCCC1.CN1CCN(CC(=O)Nc2ccc(C3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane?
The InChIKey is WPJJCKPBUAWKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.C7H14/c1-21-8-10-22(11-9-21)12-17(24)19-14-4-2-13(3-5-14)15-6-7-16(23)20-18(15)25;1-7-5-3-2-4-6-7/h2-5,15H,6-12H2,1H3,(H,19,24)(H,20,23,25);7H,2-6H2,1H3.
What are the key properties of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane?
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane has a molecular weight of 442.60 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide;methylcyclohexane is sourced from PubChem (CID 170737766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).