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'}

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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).