tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate

C17H32N2O2 — CID 59878982

IUPACtert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
SMILESC/C(=C\C(=O)OC(C)(C)C)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H32N2O2/c1-12(9-14(20)21-15(2,3)4)18-13-10-16(5,6)19-17(7,8)11-13/h9,13,18-19H,10-11H2,1-8H3/b12-9+
InChIKeyNKPSXMXLFSLNKM-FMIVXFBMSA-N
MW296.46 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate

tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate (PubChem CID 59878982) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
PubChem CID59878982
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Nametert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
SMILESC/C(=C\C(=O)OC(C)(C)C)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H32N2O2/c1-12(9-14(20)21-15(2,3)4)18-13-10-16(5,6)19-17(7,8)11-13/h9,13,18-19H,10-11H2,1-8H3/b12-9+
InChIKeyNKPSXMXLFSLNKM-FMIVXFBMSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
CID 1378486
ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
CID 5371382
2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one
CID 70420025
ethane;N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 178170769
2-[(2-methylpropan-2-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 112604371
tert-butyl N-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioylamino]ethyl]carbamate
CID 84556059
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891
N'-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108506843
2,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 59345639
(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioic S-acid
CID 88728332
tert-butyl N-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]sulfanylethyl]carbamate
CID 84557367
(2R)-2-amino-3,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 103929600

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The IUPAC name of tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate (CID 59878982) is tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The canonical SMILES for tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate is C/C(=C\C(=O)OC(C)(C)C)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The InChIKey is NKPSXMXLFSLNKM-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(9-14(20)21-15(2,3)4)18-13-10-16(5,6)19-17(7,8)11-13/h9,13,18-19H,10-11H2,1-8H3/b12-9+.
What are the key properties of tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate has a molecular weight of 296.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate is sourced from PubChem (CID 59878982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).