(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate

C14H22N3O3- — CID 59510326

IUPAC(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate
SMILESCC1(C)CC(OC(=O)Cn2ccnc2)CC(C)(C)N1[O-]
InChIInChI=1S/C14H22N3O3/c1-13(2)7-11(8-14(3,4)17(13)19)20-12(18)9-16-6-5-15-10-16/h5-6,10-11H,7-9H2,1-4H3/q-1
InChIKeyYRDCODNDUZORDX-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.95
Rot. Bonds3

About (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate

(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate (PubChem CID 59510326) has the molecular formula C14H22N3O3- and a molecular weight of 280.35 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate
PubChem CID59510326
Molecular FormulaC14H22N3O3-
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate
SMILESCC1(C)CC(OC(=O)Cn2ccnc2)CC(C)(C)N1[O-]
InChIInChI=1S/C14H22N3O3/c1-13(2)7-11(8-14(3,4)17(13)19)20-12(18)9-16-6-5-15-10-16/h5-6,10-11H,7-9H2,1-4H3/q-1
InChIKeyYRDCODNDUZORDX-UHFFFAOYSA-N
XLogP1.95
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate?
The IUPAC name of (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate (CID 59510326) is (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate.
What is the SMILES notation for (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate?
The canonical SMILES for (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate is CC1(C)CC(OC(=O)Cn2ccnc2)CC(C)(C)N1[O-].
What is the InChIKey of (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate?
The InChIKey is YRDCODNDUZORDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N3O3/c1-13(2)7-11(8-14(3,4)17(13)19)20-12(18)9-16-6-5-15-10-16/h5-6,10-11H,7-9H2,1-4H3/q-1.
What are the key properties of (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate?
(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate has a molecular weight of 280.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate is sourced from PubChem (CID 59510326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).