tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate

C15H25NO3 — CID 54753814

IUPACtert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate
SMILESC/C=C/C(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-5-8-13(17)11-12-9-6-7-10-16(12)14(18)19-15(2,3)4/h5,8,12H,6-7,9-11H2,1-4H3/b8-5+/t12-/m1/s1
InChIKeyCFTURHUORWWBRF-FZKGZDJFSA-N
MW267.37 g/mol
LogP3.31
Rot. Bonds3

About tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate (PubChem CID 54753814) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate
PubChem CID54753814
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate
SMILESC/C=C/C(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-5-8-13(17)11-12-9-6-7-10-16(12)14(18)19-15(2,3)4/h5,8,12H,6-7,9-11H2,1-4H3/b8-5+/t12-/m1/s1
InChIKeyCFTURHUORWWBRF-FZKGZDJFSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate (CID 54753814) is tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate is C/C=C/C(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate?
The InChIKey is CFTURHUORWWBRF-FZKGZDJFSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-8-13(17)11-12-9-6-7-10-16(12)14(18)19-15(2,3)4/h5,8,12H,6-7,9-11H2,1-4H3/b8-5+/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(E)-2-oxopent-3-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 54753814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).