benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate

C20H29NO5 — CID 129385635

IUPACbenzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)COC[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H29NO5/c1-20(2,3)26-18(22)15-24-14-17-11-7-8-12-21(17)19(23)25-13-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15H2,1-3H3/t17-/m0/s1
InChIKeyMIVMKFZYEDHORS-KRWDZBQOSA-N
MW363.45 g/mol
LogP3.54
Rot. Bonds6

About benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate

benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate (PubChem CID 129385635) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate
PubChem CID129385635
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Namebenzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)COC[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H29NO5/c1-20(2,3)26-18(22)15-24-14-17-11-7-8-12-21(17)19(23)25-13-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15H2,1-3H3/t17-/m0/s1
InChIKeyMIVMKFZYEDHORS-KRWDZBQOSA-N
XLogP3.54
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R)-2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethyl]piperidine-1-carboxylate
CID 129385196
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
CID 66563825
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
benzyl (2S)-2-(2-hydroxypropoxymethyl)pyrrolidine-1-carboxylate
CID 177494316
benzyl (2S)-2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]pyrrolidine-1-carboxylate
CID 168825823
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate (CID 129385635) is benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)COC[C@@H]1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate?
The InChIKey is MIVMKFZYEDHORS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29NO5/c1-20(2,3)26-18(22)15-24-14-17-11-7-8-12-21(17)19(23)25-13-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15H2,1-3H3/t17-/m0/s1.
What are the key properties of benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate?
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate has a molecular weight of 363.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 129385635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).