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

C14H24N2O — CID 5336435

IUPAC3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
SMILESCC1(C)CC(NC2=CC(=O)CC2)CC(C)(C)N1
InChIInChI=1S/C14H24N2O/c1-13(2)8-11(9-14(3,4)16-13)15-10-5-6-12(17)7-10/h7,11,15-16H,5-6,8-9H2,1-4H3
InChIKeyGBYAFEUCNRQGFG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds2

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

3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one (PubChem CID 5336435) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
PubChem CID5336435
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
SMILESCC1(C)CC(NC2=CC(=O)CC2)CC(C)(C)N1
InChIInChI=1S/C14H24N2O/c1-13(2)8-11(9-14(3,4)16-13)15-10-5-6-12(17)7-10/h7,11,15-16H,5-6,8-9H2,1-4H3
InChIKeyGBYAFEUCNRQGFG-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one (CID 5336435) is 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one is CC1(C)CC(NC2=CC(=O)CC2)CC(C)(C)N1.
What is the InChIKey of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
The InChIKey is GBYAFEUCNRQGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)8-11(9-14(3,4)16-13)15-10-5-6-12(17)7-10/h7,11,15-16H,5-6,8-9H2,1-4H3.
What are the key properties of 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one?
3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one has a molecular weight of 236.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 5336435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).