4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione

C17H29N3O3 — CID 5355001

IUPAC4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
SMILESCC1CC(C)/C(=N\N(C)C)C(C(O)CC2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C17H29N3O3/c1-10-5-11(2)17(19-20(3)4)13(6-10)14(21)7-12-8-15(22)18-16(23)9-12/h10-14,21H,5-9H2,1-4H3,(H,18,22,23)/b19-17+
InChIKeyGROLGEKMXLXQLA-HTXNQAPBSA-N
MW323.44 g/mol
LogP1.39
Rot. Bonds4

About 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione

4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione (PubChem CID 5355001) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
PubChem CID5355001
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
SMILESCC1CC(C)/C(=N\N(C)C)C(C(O)CC2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C17H29N3O3/c1-10-5-11(2)17(19-20(3)4)13(6-10)14(21)7-12-8-15(22)18-16(23)9-12/h10-14,21H,5-9H2,1-4H3,(H,18,22,23)/b19-17+
InChIKeyGROLGEKMXLXQLA-HTXNQAPBSA-N
XLogP1.39
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
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-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione?
The IUPAC name of 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione (CID 5355001) is 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione?
The canonical SMILES for 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione is CC1CC(C)/C(=N\N(C)C)C(C(O)CC2CC(=O)NC(=O)C2)C1.
What is the InChIKey of 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione?
The InChIKey is GROLGEKMXLXQLA-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-10-5-11(2)17(19-20(3)4)13(6-10)14(21)7-12-8-15(22)18-16(23)9-12/h10-14,21H,5-9H2,1-4H3,(H,18,22,23)/b19-17+.
What are the key properties of 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione?
4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione has a molecular weight of 323.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E)-2-(dimethylhydrazinylidene)-3,5-dimethylcyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione is sourced from PubChem (CID 5355001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).