tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate

C19H31NO3 — CID 102193332

IUPACtert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](C=O)C=C1CCCCC1
InChIInChI=1S/C19H31NO3/c1-19(2,3)23-18(22)20-12-8-7-11-17(20)16(14-21)13-15-9-5-4-6-10-15/h13-14,16-17H,4-12H2,1-3H3/t16-,17-/m1/s1
InChIKeyRSKCTKHEIOJNIQ-IAGOWNOFSA-N
MW321.46 g/mol
LogP4.48
Rot. Bonds3

About tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate (PubChem CID 102193332) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate
PubChem CID102193332
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Nametert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](C=O)C=C1CCCCC1
InChIInChI=1S/C19H31NO3/c1-19(2,3)23-18(22)20-12-8-7-11-17(20)16(14-21)13-15-9-5-4-6-10-15/h13-14,16-17H,4-12H2,1-3H3/t16-,17-/m1/s1
InChIKeyRSKCTKHEIOJNIQ-IAGOWNOFSA-N
XLogP4.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate (CID 102193332) is tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](C=O)C=C1CCCCC1.
What is the InChIKey of tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate?
The InChIKey is RSKCTKHEIOJNIQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H31NO3/c1-19(2,3)23-18(22)20-12-8-7-11-17(20)16(14-21)13-15-9-5-4-6-10-15/h13-14,16-17H,4-12H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate has a molecular weight of 321.46 g/mol, XLogP of 4.48, 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-[(2S)-1-cyclohexylidene-3-oxopropan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 102193332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).