(3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile

C14H17N3O2 — CID 6992360

IUPAC(3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1CCC(C2[C@H](C#N)C(=O)NC(=O)[C@H]2C#N)CC1
InChIInChI=1S/C14H17N3O2/c1-8-2-4-9(5-3-8)12-10(6-15)13(18)17-14(19)11(12)7-16/h8-12H,2-5H2,1H3,(H,17,18,19)/t8?,9?,10-,11-/m0/s1
InChIKeyZYEWEBLLTDVFKM-TVUZUIDESA-N
MW259.31 g/mol
LogP1.36
Rot. Bonds1

About (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile

(3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 6992360) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name(3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID6992360
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCC1CCC(C2[C@H](C#N)C(=O)NC(=O)[C@H]2C#N)CC1
InChIInChI=1S/C14H17N3O2/c1-8-2-4-9(5-3-8)12-10(6-15)13(18)17-14(19)11(12)7-16/h8-12H,2-5H2,1H3,(H,17,18,19)/t8?,9?,10-,11-/m0/s1
InChIKeyZYEWEBLLTDVFKM-TVUZUIDESA-N
XLogP1.36
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 6992360) is (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile is CC1CCC(C2[C@H](C#N)C(=O)NC(=O)[C@H]2C#N)CC1.
What is the InChIKey of (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is ZYEWEBLLTDVFKM-TVUZUIDESA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-2-4-9(5-3-8)12-10(6-15)13(18)17-14(19)11(12)7-16/h8-12H,2-5H2,1H3,(H,17,18,19)/t8?,9?,10-,11-/m0/s1.
What are the key properties of (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile?
(3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 259.31 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-4-(4-methylcyclohexyl)-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 6992360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).