methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate

C13H16N2O4 — CID 113257736

IUPACmethyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)10-4-2-3-7-15(10)12(17)9-5-6-14-11(16)8-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyINAIWWDCXYAVIU-SNVBAGLBSA-N
MW264.28 g/mol
LogP0.54
Rot. Bonds2

About methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate (PubChem CID 113257736) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
PubChem CID113257736
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)10-4-2-3-7-15(10)12(17)9-5-6-14-11(16)8-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyINAIWWDCXYAVIU-SNVBAGLBSA-N
XLogP0.54
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 103765202
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 103805470
methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627850
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate (CID 113257736) is methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate?
The InChIKey is INAIWWDCXYAVIU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)10-4-2-3-7-15(10)12(17)9-5-6-14-11(16)8-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,16)/t10-/m1/s1.
What are the key properties of methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 113257736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).