ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate

C15H23NO3 — CID 11149770

IUPACethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate
SMILESC=CC[C@H]1[C@H](C)C(=O)C[C@@H](C(=O)OCC)N1CC=C
InChIInChI=1S/C15H23NO3/c1-5-8-12-11(4)14(17)10-13(15(18)19-7-3)16(12)9-6-2/h5-6,11-13H,1-2,7-10H2,3-4H3/t11-,12-,13-/m0/s1
InChIKeyUNCAUDWQFZWAOT-AVGNSLFASA-N
MW265.35 g/mol
LogP1.96
Rot. Bonds6

About ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate

ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate (PubChem CID 11149770) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate
PubChem CID11149770
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate
SMILESC=CC[C@H]1[C@H](C)C(=O)C[C@@H](C(=O)OCC)N1CC=C
InChIInChI=1S/C15H23NO3/c1-5-8-12-11(4)14(17)10-13(15(18)19-7-3)16(12)9-6-2/h5-6,11-13H,1-2,7-10H2,3-4H3/t11-,12-,13-/m0/s1
InChIKeyUNCAUDWQFZWAOT-AVGNSLFASA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate?
The IUPAC name of ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate (CID 11149770) is ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate is C=CC[C@H]1[C@H](C)C(=O)C[C@@H](C(=O)OCC)N1CC=C.
What is the InChIKey of ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate?
The InChIKey is UNCAUDWQFZWAOT-AVGNSLFASA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-8-12-11(4)14(17)10-13(15(18)19-7-3)16(12)9-6-2/h5-6,11-13H,1-2,7-10H2,3-4H3/t11-,12-,13-/m0/s1.
What are the key properties of ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate?
ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,5S,6S)-5-methyl-4-oxo-1,6-bis(prop-2-enyl)piperidine-2-carboxylate is sourced from PubChem (CID 11149770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).