1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione

C23H34N2O3 — CID 176590084

IUPAC1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione
SMILESC=C1CC(C)(C)C(=C)N(CCCCCCN2C(=O)C(=C)CC(C)(C)C2=O)C1=O
InChIInChI=1S/C23H34N2O3/c1-16-14-22(4,5)18(3)24(19(16)26)12-10-8-9-11-13-25-20(27)17(2)15-23(6,7)21(25)28/h1-3,8-15H2,4-7H3
InChIKeyCGWHGYKUTVKXOI-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.22
Rot. Bonds7

About 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione

1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione (PubChem CID 176590084) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione.

Molecular Properties

Compound Name1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione
PubChem CID176590084
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione
SMILESC=C1CC(C)(C)C(=C)N(CCCCCCN2C(=O)C(=C)CC(C)(C)C2=O)C1=O
InChIInChI=1S/C23H34N2O3/c1-16-14-22(4,5)18(3)24(19(16)26)12-10-8-9-11-13-25-20(27)17(2)15-23(6,7)21(25)28/h1-3,8-15H2,4-7H3
InChIKeyCGWHGYKUTVKXOI-UHFFFAOYSA-N
XLogP4.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione?
The IUPAC name of 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione (CID 176590084) is 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione.
What is the SMILES notation for 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione?
The canonical SMILES for 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione is C=C1CC(C)(C)C(=C)N(CCCCCCN2C(=O)C(=C)CC(C)(C)C2=O)C1=O.
What is the InChIKey of 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione?
The InChIKey is CGWHGYKUTVKXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-16-14-22(4,5)18(3)24(19(16)26)12-10-8-9-11-13-25-20(27)17(2)15-23(6,7)21(25)28/h1-3,8-15H2,4-7H3.
What are the key properties of 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione?
1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione has a molecular weight of 386.54 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-dimethyl-2,5-dimethylidene-6-oxopiperidin-1-yl)hexyl]-3,3-dimethyl-5-methylidenepiperidine-2,6-dione is sourced from PubChem (CID 176590084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).