4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid

C17H24N2O4 — CID 57256417

IUPAC4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncccc2CO[C@H]2CCCCO2)CC1
InChIInChI=1S/C17H24N2O4/c20-17(21)19-9-6-13(7-10-19)16-14(4-3-8-18-16)12-23-15-5-1-2-11-22-15/h3-4,8,13,15H,1-2,5-7,9-12H2,(H,20,21)/t15-/m0/s1
InChIKeyNGQGRVIVWDAMTQ-HNNXBMFYSA-N
MW320.39 g/mol
LogP2.98
Rot. Bonds4

About 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid

4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid (PubChem CID 57256417) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid
PubChem CID57256417
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncccc2CO[C@H]2CCCCO2)CC1
InChIInChI=1S/C17H24N2O4/c20-17(21)19-9-6-13(7-10-19)16-14(4-3-8-18-16)12-23-15-5-1-2-11-22-15/h3-4,8,13,15H,1-2,5-7,9-12H2,(H,20,21)/t15-/m0/s1
InChIKeyNGQGRVIVWDAMTQ-HNNXBMFYSA-N
XLogP2.98
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
3-chloro-2-(oxan-2-yloxymethyl)pyridine
CID 168944061
4-[3-[[(4-methylsulfonylphenyl)methylamino]methyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 67075253
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid
CID 174789377
tert-butyl 3-[[(2R)-oxan-2-yl]oxymethyl]pyrazolo[3,4-b]pyridine-1-carboxylate
CID 94840528
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
CID 58495700
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
CID 174278587

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid (CID 57256417) is 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ncccc2CO[C@H]2CCCCO2)CC1.
What is the InChIKey of 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid?
The InChIKey is NGQGRVIVWDAMTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-17(21)19-9-6-13(7-10-19)16-14(4-3-8-18-16)12-23-15-5-1-2-11-22-15/h3-4,8,13,15H,1-2,5-7,9-12H2,(H,20,21)/t15-/m0/s1.
What are the key properties of 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid?
4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 57256417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).