methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate

C15H27NO4 — CID 124609824

IUPACmethyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCC(OC[C@H]2CCCCO2)CC1
InChIInChI=1S/C15H27NO4/c1-12(15(17)18-2)16-8-6-13(7-9-16)20-11-14-5-3-4-10-19-14/h12-14H,3-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyKBZZVAKWIVUAPK-GXTWGEPZSA-N
MW285.38 g/mol
LogP1.60
Rot. Bonds5

About methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate

methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate (PubChem CID 124609824) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
PubChem CID124609824
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCC(OC[C@H]2CCCCO2)CC1
InChIInChI=1S/C15H27NO4/c1-12(15(17)18-2)16-8-6-13(7-9-16)20-11-14-5-3-4-10-19-14/h12-14H,3-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyKBZZVAKWIVUAPK-GXTWGEPZSA-N
XLogP1.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119815521
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 96558685
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447389
N'-methyl-N-(2-methyl-2-methylsulfonylpropyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447193
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124623738
N-(2,2-difluoroethyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448276
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119815503

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate (CID 124609824) is methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate is COC(=O)[C@H](C)N1CCC(OC[C@H]2CCCCO2)CC1.
What is the InChIKey of methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate?
The InChIKey is KBZZVAKWIVUAPK-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H27NO4/c1-12(15(17)18-2)16-8-6-13(7-9-16)20-11-14-5-3-4-10-19-14/h12-14H,3-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate?
methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate has a molecular weight of 285.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate is sourced from PubChem (CID 124609824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).