ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate

C15H28N2O2 — CID 5371382

IUPACethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
SMILESCCOC(=O)/C=C(/C)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H28N2O2/c1-7-19-13(18)8-11(2)16-12-9-14(3,4)17-15(5,6)10-12/h8,12,16-17H,7,9-10H2,1-6H3/b11-8-
InChIKeyTYIHVGIUNRELAO-FLIBITNWSA-N
MW268.40 g/mol
LogP2.35
Rot. Bonds4

About ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate

ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate (PubChem CID 5371382) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
PubChem CID5371382
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
SMILESCCOC(=O)/C=C(/C)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H28N2O2/c1-7-19-13(18)8-11(2)16-12-9-14(3,4)17-15(5,6)10-12/h8,12,16-17H,7,9-10H2,1-6H3/b11-8-
InChIKeyTYIHVGIUNRELAO-FLIBITNWSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.35
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
tert-butyl (E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
CID 59878982
2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one
CID 70420025
ethyl (E)-3-(cyclohexylamino)but-2-enoate
CID 15555337
ethyl N-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]carbamate
CID 134123349
ethane;N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 178170769
2,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 59345639
3-hydrazinyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 14745324
N-methylmethanamine;N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 68908972
5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanoic acid
CID 3133160
2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 65168543
ethyl 2-[[4-bromo-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetate
CID 54416370

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The IUPAC name of ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate (CID 5371382) is ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The canonical SMILES for ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate is CCOC(=O)/C=C(/C)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The InChIKey is TYIHVGIUNRELAO-FLIBITNWSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-19-13(18)8-11(2)16-12-9-14(3,4)17-15(5,6)10-12/h8,12,16-17H,7,9-10H2,1-6H3/b11-8-.
What are the key properties of ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate has a molecular weight of 268.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate is sourced from PubChem (CID 5371382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).