4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione

C16H27N3O3 — CID 6508032

IUPAC4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
SMILESCN/N=C1/C(C)CC(C)CC1C(O)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C16H27N3O3/c1-9-4-10(2)16(19-17-3)12(5-9)13(20)6-11-7-14(21)18-15(22)8-11/h9-13,17,20H,4-8H2,1-3H3,(H,18,21,22)/b19-16-
InChIKeyIPVSENAFJSIGCV-MNDPQUGUSA-N
MW309.41 g/mol
LogP1.05
Rot. Bonds4

About 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione

4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione (PubChem CID 6508032) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
PubChem CID6508032
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
SMILESCN/N=C1/C(C)CC(C)CC1C(O)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C16H27N3O3/c1-9-4-10(2)16(19-17-3)12(5-9)13(20)6-11-7-14(21)18-15(22)8-11/h9-13,17,20H,4-8H2,1-3H3,(H,18,21,22)/b19-16-
InChIKeyIPVSENAFJSIGCV-MNDPQUGUSA-N
XLogP1.05
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione?
The IUPAC name of 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione (CID 6508032) is 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione?
The canonical SMILES for 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione is CN/N=C1/C(C)CC(C)CC1C(O)CC1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione?
The InChIKey is IPVSENAFJSIGCV-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-9-4-10(2)16(19-17-3)12(5-9)13(20)6-11-7-14(21)18-15(22)8-11/h9-13,17,20H,4-8H2,1-3H3,(H,18,21,22)/b19-16-.
What are the key properties of 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione?
4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione has a molecular weight of 309.41 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2Z)-3,5-dimethyl-2-(methylhydrazinylidene)cyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione is sourced from PubChem (CID 6508032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).