3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione

C20H28N2O2 — CID 168735277

IUPAC3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
SMILESCC(C)(C)N1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)22-12-10-15(11-13-22)14-4-6-16(7-5-14)17-8-9-18(23)21-19(17)24/h4-7,15,17H,8-13H2,1-3H3,(H,21,23,24)
InChIKeyZELLDCCRGUAEGX-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.18
Rot. Bonds2

About 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione

3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione (PubChem CID 168735277) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
PubChem CID168735277
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
SMILESCC(C)(C)N1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)22-12-10-15(11-13-22)14-4-6-16(7-5-14)17-8-9-18(23)21-19(17)24/h4-7,15,17H,8-13H2,1-3H3,(H,21,23,24)
InChIKeyZELLDCCRGUAEGX-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione 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

tert-butyl 3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]propanoate
CID 166947699
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[4-[1-(4,4-dimethoxybutyl)piperidin-4-yl]phenyl]piperidine-2,6-dione
CID 171572244
tert-butyl 4-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]azetidin-1-yl]piperidine-1-carboxylate
CID 177362869
3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione
CID 166117144
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
CID 177197826
3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
CID 170954104
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
1-tert-butyl-4-(4-methoxyphenyl)piperidine
CID 58245809
3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione
CID 82120778

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione (CID 168735277) is 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione is CC(C)(C)N1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione?
The InChIKey is ZELLDCCRGUAEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,3)22-12-10-15(11-13-22)14-4-6-16(7-5-14)17-8-9-18(23)21-19(17)24/h4-7,15,17H,8-13H2,1-3H3,(H,21,23,24).
What are the key properties of 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione?
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione has a molecular weight of 328.46 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 168735277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).