3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione

C18H24N2O2 — CID 166117430

IUPAC3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
SMILESCN1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H24N2O2/c1-20-10-8-15(9-11-20)14-4-2-13(3-5-14)12-16-6-7-17(21)19-18(16)22/h2-5,15-16H,6-12H2,1H3,(H,19,21,22)
InChIKeyKVCAYZIVEDYLAP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds3

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

3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione (PubChem CID 166117430) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
PubChem CID166117430
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
SMILESCN1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H24N2O2/c1-20-10-8-15(9-11-20)14-4-2-13(3-5-14)12-16-6-7-17(21)19-18(16)22/h2-5,15-16H,6-12H2,1H3,(H,19,21,22)
InChIKeyKVCAYZIVEDYLAP-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]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

N-cyclopentyl-2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]piperidin-1-yl]acetamide
CID 165048097
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
CID 174088430
CID 174088430
3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 110457723
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
3-[(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)methyl]piperidine-2,6-dione
CID 159174165
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116987
1-[[4-(1-propylpiperidin-4-yl)phenyl]methyl]-1,3-diazinane-2,4-dione
CID 171083848
1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117363380

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione?
The IUPAC name of 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione (CID 166117430) is 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione is CN1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione?
The InChIKey is KVCAYZIVEDYLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20-10-8-15(9-11-20)14-4-2-13(3-5-14)12-16-6-7-17(21)19-18(16)22/h2-5,15-16H,6-12H2,1H3,(H,19,21,22).
What are the key properties of 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione?
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione has a molecular weight of 300.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 166117430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).