tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate

C19H34N2O5 — CID 100839544

IUPACtert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate
SMILESC[C@@H]1CCCN(C(=O)COC[C@H]2CCCO2)[C@@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H34N2O5/c1-14-7-5-9-21(16(14)11-20-18(23)26-19(2,3)4)17(22)13-24-12-15-8-6-10-25-15/h14-16H,5-13H2,1-4H3,(H,20,23)/t14-,15-,16-/m1/s1
InChIKeyAQFPKBBUBHAHLN-BZUAXINKSA-N
MW370.49 g/mol
LogP2.33
Rot. Bonds6

About tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate

tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate (PubChem CID 100839544) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate
PubChem CID100839544
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Nametert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate
SMILESC[C@@H]1CCCN(C(=O)COC[C@H]2CCCO2)[C@@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H34N2O5/c1-14-7-5-9-21(16(14)11-20-18(23)26-19(2,3)4)17(22)13-24-12-15-8-6-10-25-15/h14-16H,5-13H2,1-4H3,(H,20,23)/t14-,15-,16-/m1/s1
InChIKeyAQFPKBBUBHAHLN-BZUAXINKSA-N
XLogP2.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate
CID 96519465
tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
CID 115606970
1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 99615375
tert-butyl (2S)-2-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 94913786
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65160742
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160741
tert-butyl N-[2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109449672
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
tert-butyl N-[1-[N-ethyl-N'-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730946
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 98323854
2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone
CID 126841575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate (CID 100839544) is tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate is C[C@@H]1CCCN(C(=O)COC[C@H]2CCCO2)[C@@H]1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate?
The InChIKey is AQFPKBBUBHAHLN-BZUAXINKSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-14-7-5-9-21(16(14)11-20-18(23)26-19(2,3)4)17(22)13-24-12-15-8-6-10-25-15/h14-16H,5-13H2,1-4H3,(H,20,23)/t14-,15-,16-/m1/s1.
What are the key properties of tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 100839544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).