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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Related Compounds

tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
methyl 2-(2-chloroacetyl)azepane-1-carboxylate
CID 104701440
methyl 2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)piperidine-1-carboxylate
CID 72885038
methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 97274984
methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 90648666
methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 134793006
methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97201426
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
methyl 2-[4-(2-methylpyrimidin-4-yl)-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate
CID 138381263
methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 94014523
methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate
CID 97206845

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).