(4-oxocyclohexyl)methyl piperidine-4-carboxylate

C13H21NO3 — CID 170173347

IUPAC(4-oxocyclohexyl)methyl piperidine-4-carboxylate
SMILESO=C1CCC(COC(=O)C2CCNCC2)CC1
InChIInChI=1S/C13H21NO3/c15-12-3-1-10(2-4-12)9-17-13(16)11-5-7-14-8-6-11/h10-11,14H,1-9H2
InChIKeyQXZQMUMYKIFOOO-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.29
Rot. Bonds3

About (4-oxocyclohexyl)methyl piperidine-4-carboxylate

(4-oxocyclohexyl)methyl piperidine-4-carboxylate (PubChem CID 170173347) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (4-oxocyclohexyl)methyl piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-oxocyclohexyl)methyl piperidine-4-carboxylate
PubChem CID170173347
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(4-oxocyclohexyl)methyl piperidine-4-carboxylate
SMILESO=C1CCC(COC(=O)C2CCNCC2)CC1
InChIInChI=1S/C13H21NO3/c15-12-3-1-10(2-4-12)9-17-13(16)11-5-7-14-8-6-11/h10-11,14H,1-9H2
InChIKeyQXZQMUMYKIFOOO-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-oxocyclohexyl)methyl piperidine-4-carboxylate?
The IUPAC name of (4-oxocyclohexyl)methyl piperidine-4-carboxylate (CID 170173347) is (4-oxocyclohexyl)methyl piperidine-4-carboxylate.
What is the SMILES notation for (4-oxocyclohexyl)methyl piperidine-4-carboxylate?
The canonical SMILES for (4-oxocyclohexyl)methyl piperidine-4-carboxylate is O=C1CCC(COC(=O)C2CCNCC2)CC1.
What is the InChIKey of (4-oxocyclohexyl)methyl piperidine-4-carboxylate?
The InChIKey is QXZQMUMYKIFOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12-3-1-10(2-4-12)9-17-13(16)11-5-7-14-8-6-11/h10-11,14H,1-9H2.
What are the key properties of (4-oxocyclohexyl)methyl piperidine-4-carboxylate?
(4-oxocyclohexyl)methyl piperidine-4-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxocyclohexyl)methyl piperidine-4-carboxylate is sourced from PubChem (CID 170173347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).