methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate

C13H16N2O4 — CID 78919789

IUPACmethyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2ncccc2O)C1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)9-4-3-7-15(8-9)12(17)11-10(16)5-2-6-14-11/h2,5-6,9,16H,3-4,7-8H2,1H3/t9-/m0/s1
InChIKeyICMSLMACODTOLF-VIFPVBQESA-N
MW264.28 g/mol
LogP0.81
Rot. Bonds2

About methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 78919789) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
PubChem CID78919789
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2ncccc2O)C1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)9-4-3-7-15(8-9)12(17)11-10(16)5-2-6-14-11/h2,5-6,9,16H,3-4,7-8H2,1H3/t9-/m0/s1
InChIKeyICMSLMACODTOLF-VIFPVBQESA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
tert-butyl 1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylate
CID 91648435
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
CID 110465861
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
CID 78994553

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate (CID 78919789) is methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2ncccc2O)C1.
What is the InChIKey of methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is ICMSLMACODTOLF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)9-4-3-7-15(8-9)12(17)11-10(16)5-2-6-14-11/h2,5-6,9,16H,3-4,7-8H2,1H3/t9-/m0/s1.
What are the key properties of methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).