methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate

C13H16N2O4 — CID 133137955

IUPACmethyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cccnc1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)11-7-10(16)4-6-15(11)12(17)9-3-2-5-14-8-9/h2-3,5,8,10-11,16H,4,6-7H2,1H3/t10-,11+/m1/s1
InChIKeyNABFYSQMRFJOAQ-MNOVXSKESA-N
MW264.28 g/mol
LogP0.22
Rot. Bonds2

About methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate

methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 133137955) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID133137955
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cccnc1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)11-7-10(16)4-6-15(11)12(17)9-3-2-5-14-8-9/h2-3,5,8,10-11,16H,4,6-7H2,1H3/t10-,11+/m1/s1
InChIKeyNABFYSQMRFJOAQ-MNOVXSKESA-N
XLogP0.22
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
CID 136582250
methyl (2S,4R)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 133127407
methyl (2R,4S)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 50979069
methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783646
methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 101432816
methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783641
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783659
methyl (2R,4S)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate
CID 50961369
methyl (2R,4S)-4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-2-carboxylate
CID 50948259
methyl (2S,4R)-4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133115252

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate (CID 133137955) is methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cccnc1.
What is the InChIKey of methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is NABFYSQMRFJOAQ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)11-7-10(16)4-6-15(11)12(17)9-3-2-5-14-8-9/h2-3,5,8,10-11,16H,4,6-7H2,1H3/t10-,11+/m1/s1.
What are the key properties of methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 133137955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).