carboxy piperidine-1-carboxylate

C7H11NO4 — CID 154126035

IUPACcarboxy piperidine-1-carboxylate
SMILESO=C(O)OC(=O)N1CCCCC1
InChIInChI=1S/C7H11NO4/c9-6(12-7(10)11)8-4-2-1-3-5-8/h1-5H2,(H,10,11)
InChIKeyLHKIYOHLISFSBV-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.29
Rot. Bonds

About carboxy piperidine-1-carboxylate

carboxy piperidine-1-carboxylate (PubChem CID 154126035) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is carboxy piperidine-1-carboxylate.

Molecular Properties

Compound Namecarboxy piperidine-1-carboxylate
PubChem CID154126035
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namecarboxy piperidine-1-carboxylate
SMILESO=C(O)OC(=O)N1CCCCC1
InChIInChI=1S/C7H11NO4/c9-6(12-7(10)11)8-4-2-1-3-5-8/h1-5H2,(H,10,11)
InChIKeyLHKIYOHLISFSBV-UHFFFAOYSA-N
XLogP1.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propanoyl piperidine-1-carboxylate
CID 142786690
piperidine-1-carboperoxoic acid
CID 18434275
(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
CID 87291791
pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
ethyl azacycloundecane-1-carboxylate
CID 67670496
fluoromethyl piperidine-1-carboxylate
CID 141168732
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
2-aminoethyl piperidine-1-carboxylate
CID 58684414
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
3-methylbutan-2-yl piperidine-1-carboxylate
CID 127537756

Frequently Asked Questions

What is the IUPAC name of carboxy piperidine-1-carboxylate?
The IUPAC name of carboxy piperidine-1-carboxylate (CID 154126035) is carboxy piperidine-1-carboxylate.
What is the SMILES notation for carboxy piperidine-1-carboxylate?
The canonical SMILES for carboxy piperidine-1-carboxylate is O=C(O)OC(=O)N1CCCCC1.
What is the InChIKey of carboxy piperidine-1-carboxylate?
The InChIKey is LHKIYOHLISFSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6(12-7(10)11)8-4-2-1-3-5-8/h1-5H2,(H,10,11).
What are the key properties of carboxy piperidine-1-carboxylate?
carboxy piperidine-1-carboxylate has a molecular weight of 173.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy piperidine-1-carboxylate is sourced from PubChem (CID 154126035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).