molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione

C14H22N2O2 — CID 169188670

IUPACmolecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
SMILESCC(C)c1ccc(NC2CCC(=O)NC2=O)cc1.[H][H].[H][H]
InChIInChI=1S/C14H18N2O2.2H2/c1-9(2)10-3-5-11(6-4-10)15-12-7-8-13(17)16-14(12)18;;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17,18);2*1H
InChIKeyLIURTOUVTZRWTL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.52
Rot. Bonds3

About molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione

molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione (PubChem CID 169188670) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Namemolecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
PubChem CID169188670
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemolecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
SMILESCC(C)c1ccc(NC2CCC(=O)NC2=O)cc1.[H][H].[H][H]
InChIInChI=1S/C14H18N2O2.2H2/c1-9(2)10-3-5-11(6-4-10)15-12-7-8-13(17)16-14(12)18;;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17,18);2*1H
InChIKeyLIURTOUVTZRWTL-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
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 molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione?
The IUPAC name of molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione (CID 169188670) is molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione?
The canonical SMILES for molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione is CC(C)c1ccc(NC2CCC(=O)NC2=O)cc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione?
The InChIKey is LIURTOUVTZRWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.2H2/c1-9(2)10-3-5-11(6-4-10)15-12-7-8-13(17)16-14(12)18;;/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17,18);2*1H.
What are the key properties of molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione?
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione has a molecular weight of 250.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 169188670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).