(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile

C14H14N2O2 — CID 7347371

IUPAC(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile
SMILESCC1(C)C(=O)NC(=O)[C@H](C#N)[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-14(2)11(9-6-4-3-5-7-9)10(8-15)12(17)16-13(14)18/h3-7,10-11H,1-2H3,(H,16,17,18)/t10-,11+/m1/s1
InChIKeyAXFSGAGJHJHOBM-MNOVXSKESA-N
MW242.28 g/mol
LogP1.59
Rot. Bonds1

About (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile

(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile (PubChem CID 7347371) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile
PubChem CID7347371
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile
SMILESCC1(C)C(=O)NC(=O)[C@H](C#N)[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-14(2)11(9-6-4-3-5-7-9)10(8-15)12(17)16-13(14)18/h3-7,10-11H,1-2H3,(H,16,17,18)/t10-,11+/m1/s1
InChIKeyAXFSGAGJHJHOBM-MNOVXSKESA-N
XLogP1.59
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile 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

(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile
CID 138970589
(3R,4R)-7,7-dimethyl-2,5-dioxo-4-phenyl-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 910627
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
CID 132530978
2,6-dioxo-4-phenyl-5-pyridin-1-ium-1-ylpiperidine-3-carbonitrile chloride
CID 90483158
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
(3R,4S)-2-oxo-4-phenyl-6-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carbonitrile
CID 832964
(3R,5S)-4-methyl-2,6-dioxo-4-phenylpiperidine-3,5-dicarbonitrile
CID 51537056
5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one
CID 130010020
(2S,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
CID 102142694
(4R,5S)-3,6-dioxo-2,4-diphenyl-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile
CID 7447052
(1R,3S,4S,5S,8R)-5-hydroxy-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
CID 98349534
N-[(2R)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154993891

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile?
The IUPAC name of (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile (CID 7347371) is (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile.
What is the SMILES notation for (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile?
The canonical SMILES for (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile is CC1(C)C(=O)NC(=O)[C@H](C#N)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile?
The InChIKey is AXFSGAGJHJHOBM-MNOVXSKESA-N. The full InChI is InChI=1S/C14H14N2O2/c1-14(2)11(9-6-4-3-5-7-9)10(8-15)12(17)16-13(14)18/h3-7,10-11H,1-2H3,(H,16,17,18)/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile?
(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile is sourced from PubChem (CID 7347371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).