formyl piperidine-4-carboxylate

C7H11NO3 — CID 57302878

IUPACformyl piperidine-4-carboxylate
SMILESO=COC(=O)C1CCNCC1
InChIInChI=1S/C7H11NO3/c9-5-11-7(10)6-1-3-8-4-2-6/h5-6,8H,1-4H2
InChIKeyMAGZSDGZBHMHQF-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.31
Rot. Bonds2

About formyl piperidine-4-carboxylate

formyl piperidine-4-carboxylate (PubChem CID 57302878) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is formyl piperidine-4-carboxylate.

Molecular Properties

Compound Nameformyl piperidine-4-carboxylate
PubChem CID57302878
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameformyl piperidine-4-carboxylate
SMILESO=COC(=O)C1CCNCC1
InChIInChI=1S/C7H11NO3/c9-5-11-7(10)6-1-3-8-4-2-6/h5-6,8H,1-4H2
InChIKeyMAGZSDGZBHMHQF-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formyl piperidine-4-carboxylate?
The IUPAC name of formyl piperidine-4-carboxylate (CID 57302878) is formyl piperidine-4-carboxylate.
What is the SMILES notation for formyl piperidine-4-carboxylate?
The canonical SMILES for formyl piperidine-4-carboxylate is O=COC(=O)C1CCNCC1.
What is the InChIKey of formyl piperidine-4-carboxylate?
The InChIKey is MAGZSDGZBHMHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-11-7(10)6-1-3-8-4-2-6/h5-6,8H,1-4H2.
What are the key properties of formyl piperidine-4-carboxylate?
formyl piperidine-4-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyl piperidine-4-carboxylate is sourced from PubChem (CID 57302878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).