methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate

C13H22N2O3 — CID 44550100

IUPACmethyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)15-10-6-3-7-11(15)12(16)14-8-4-2-5-9-14/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyMLWUGNNPXBQOKU-LLVKDONJSA-N
MW254.33 g/mol
LogP1.62
Rot. Bonds1

About methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate

methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 44550100) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID44550100
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C13H22N2O3/c1-18-13(17)15-10-6-3-7-11(15)12(16)14-8-4-2-5-9-14/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyMLWUGNNPXBQOKU-LLVKDONJSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate (CID 44550100) is methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate is COC(=O)N1CCCC[C@@H]1C(=O)N1CCCCC1.
What is the InChIKey of methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is MLWUGNNPXBQOKU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-13(17)15-10-6-3-7-11(15)12(16)14-8-4-2-5-9-14/h11H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate?
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 44550100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).