tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate

C15H26N2O4 — CID 6423127

IUPACtert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
SMILESCCOC(=O)/C=C(\N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h10-11H,5-9,16H2,1-4H3/b12-10-
InChIKeyHUDBPOBWBUYYIB-BENRWUELSA-N
MW298.38 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate

tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate (PubChem CID 6423127) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
PubChem CID6423127
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
SMILESCCOC(=O)/C=C(\N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h10-11H,5-9,16H2,1-4H3/b12-10-
InChIKeyHUDBPOBWBUYYIB-BENRWUELSA-N
XLogP2.04
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate (CID 6423127) is tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate is CCOC(=O)/C=C(\N)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate?
The InChIKey is HUDBPOBWBUYYIB-BENRWUELSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h10-11H,5-9,16H2,1-4H3/b12-10-.
What are the key properties of tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate?
tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 6423127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).