[(3R)-piperidin-3-yl] prop-2-enoate

C8H13NO2 — CID 56634332

IUPAC[(3R)-piperidin-3-yl] prop-2-enoate
SMILESC=CC(=O)O[C@@H]1CCCNC1
InChIInChI=1S/C8H13NO2/c1-2-8(10)11-7-4-3-5-9-6-7/h2,7,9H,1,3-6H2/t7-/m1/s1
InChIKeyDTBHFFGMENLLGW-SSDOTTSWSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds2

About [(3R)-piperidin-3-yl] prop-2-enoate

[(3R)-piperidin-3-yl] prop-2-enoate (PubChem CID 56634332) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is [(3R)-piperidin-3-yl] prop-2-enoate.

Molecular Properties

Compound Name[(3R)-piperidin-3-yl] prop-2-enoate
PubChem CID56634332
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name[(3R)-piperidin-3-yl] prop-2-enoate
SMILESC=CC(=O)O[C@@H]1CCCNC1
InChIInChI=1S/C8H13NO2/c1-2-8(10)11-7-4-3-5-9-6-7/h2,7,9H,1,3-6H2/t7-/m1/s1
InChIKeyDTBHFFGMENLLGW-SSDOTTSWSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
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 [(3R)-piperidin-3-yl] prop-2-enoate?
The IUPAC name of [(3R)-piperidin-3-yl] prop-2-enoate (CID 56634332) is [(3R)-piperidin-3-yl] prop-2-enoate.
What is the SMILES notation for [(3R)-piperidin-3-yl] prop-2-enoate?
The canonical SMILES for [(3R)-piperidin-3-yl] prop-2-enoate is C=CC(=O)O[C@@H]1CCCNC1.
What is the InChIKey of [(3R)-piperidin-3-yl] prop-2-enoate?
The InChIKey is DTBHFFGMENLLGW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-8(10)11-7-4-3-5-9-6-7/h2,7,9H,1,3-6H2/t7-/m1/s1.
What are the key properties of [(3R)-piperidin-3-yl] prop-2-enoate?
[(3R)-piperidin-3-yl] prop-2-enoate has a molecular weight of 155.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-3-yl] prop-2-enoate is sourced from PubChem (CID 56634332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).