(2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid

C15H23NO4 — CID 115051751

IUPAC(2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid
SMILESCC(C)(C)OC(=O)N1CCCC(/C=C/C=C\C(=O)O)C1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-10-6-8-12(11-16)7-4-5-9-13(17)18/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,17,18)/b7-4+,9-5-
InChIKeyJVBGFLPACKHHGV-HQHVODAESA-N
MW281.35 g/mol
LogP2.83
Rot. Bonds3

About (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid

(2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid (PubChem CID 115051751) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid
PubChem CID115051751
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid
SMILESCC(C)(C)OC(=O)N1CCCC(/C=C/C=C\C(=O)O)C1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-10-6-8-12(11-16)7-4-5-9-13(17)18/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,17,18)/b7-4+,9-5-
InChIKeyJVBGFLPACKHHGV-HQHVODAESA-N
XLogP2.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid with MolForge

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Related Compounds

(E)-3-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]prop-2-enoic acid
CID 95386838
tert-butyl 3-[(E)-3-amino-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 170876820
tert-butyl (3S)-3-(2-methoxyethenyl)piperidine-1-carboxylate
CID 164591882
tert-butyl 3-[(E)-2-nitroethenyl]piperidine-1-carboxylate
CID 156595712
tert-butyl 3-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 86615128
tert-butyl 3-[(E)-4-aminobut-1-enyl]piperidine-1-carboxylate
CID 126844516
tert-butyl 3-[3-(4-phenylphenyl)prop-1-enyl]piperidine-1-carboxylate
CID 155930005
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 68880080
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate;iodozinc(1+)
CID 134128822
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(1-oxopropan-2-yl)piperidine-1-carboxylate
CID 83912646

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid (CID 115051751) is (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid is CC(C)(C)OC(=O)N1CCCC(/C=C/C=C\C(=O)O)C1.
What is the InChIKey of (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid?
The InChIKey is JVBGFLPACKHHGV-HQHVODAESA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-10-6-8-12(11-16)7-4-5-9-13(17)18/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H,17,18)/b7-4+,9-5-.
What are the key properties of (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid?
(2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]penta-2,4-dienoic acid is sourced from PubChem (CID 115051751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).