5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one

C17H30N2O — CID 777398

IUPAC5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NC2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C17H30N2O/c1-15(2)8-12(7-14(20)11-15)18-13-9-16(3,4)19-17(5,6)10-13/h7,13,18-19H,8-11H2,1-6H3
InChIKeyBDBKYBGZKJKQSG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.16
Rot. Bonds2

About 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one

5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one (PubChem CID 777398) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one
PubChem CID777398
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NC2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C17H30N2O/c1-15(2)8-12(7-14(20)11-15)18-13-9-16(3,4)19-17(5,6)10-13/h7,13,18-19H,8-11H2,1-6H3
InChIKeyBDBKYBGZKJKQSG-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one (CID 777398) is 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NC2CC(C)(C)NC(C)(C)C2)C1.
What is the InChIKey of 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one?
The InChIKey is BDBKYBGZKJKQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(2)8-12(7-14(20)11-15)18-13-9-16(3,4)19-17(5,6)10-13/h7,13,18-19H,8-11H2,1-6H3.
What are the key properties of 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one?
5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one has a molecular weight of 278.44 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclohex-2-en-1-one is sourced from PubChem (CID 777398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).