3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione

C20H29N3O3 — CID 168735312

IUPAC3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
SMILESCC(C)(C)C1(O)CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-19(2,3)20(26)10-12-23(13-11-20)15-6-4-14(5-7-15)21-16-8-9-17(24)22-18(16)25/h4-7,16,21,26H,8-13H2,1-3H3,(H,22,24,25)
InChIKeyNJQCHIURAPIKSS-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.28
Rot. Bonds3

About 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione

3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione (PubChem CID 168735312) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
PubChem CID168735312
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
SMILESCC(C)(C)C1(O)CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-19(2,3)20(26)10-12-23(13-11-20)15-6-4-14(5-7-15)21-16-8-9-17(24)22-18(16)25/h4-7,16,21,26H,8-13H2,1-3H3,(H,22,24,25)
InChIKeyNJQCHIURAPIKSS-UHFFFAOYSA-N
XLogP2.28
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]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

3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472103
ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472102
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
tert-butyl 3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]propanoate
CID 170770822
3-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)anilino]piperidine-2,6-dione
CID 170749022
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one
CID 158888188
tert-butyl 5-[[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 164720580
3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947390
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
O-tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carbothioate
CID 177363967

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione (CID 168735312) is 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione is CC(C)(C)C1(O)CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione?
The InChIKey is NJQCHIURAPIKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-19(2,3)20(26)10-12-23(13-11-20)15-6-4-14(5-7-15)21-16-8-9-17(24)22-18(16)25/h4-7,16,21,26H,8-13H2,1-3H3,(H,22,24,25).
What are the key properties of 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione?
3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione has a molecular weight of 359.47 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 168735312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).