tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate

C18H33NO4 — CID 134949805

IUPACtert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate
SMILESCC(=O)C[C@H](C)C[C@@H]1CCC[C@@H](CCO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO4/c1-13(11-14(2)21)12-16-8-6-7-15(9-10-20)19(16)17(22)23-18(3,4)5/h13,15-16,20H,6-12H2,1-5H3/t13-,15-,16-/m0/s1
InChIKeyRAEQPMRWAWOHSX-BPUTZDHNSA-N
MW327.47 g/mol
LogP3.53
Rot. Bonds6

About tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate

tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate (PubChem CID 134949805) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate
PubChem CID134949805
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Nametert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate
SMILESCC(=O)C[C@H](C)C[C@@H]1CCC[C@@H](CCO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO4/c1-13(11-14(2)21)12-16-8-6-7-15(9-10-20)19(16)17(22)23-18(3,4)5/h13,15-16,20H,6-12H2,1-5H3/t13-,15-,16-/m0/s1
InChIKeyRAEQPMRWAWOHSX-BPUTZDHNSA-N
XLogP3.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
CID 91485138
t-Butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate
CID 114451414
t-Butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate
CID 114451429
tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate
CID 11723231
Tert-butyl 4-[2-(2-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11523801
Tert-butyl 4-[2-[4-hydroxy-2-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 11581745
Tert-butyl 4-[2-(2-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11675346
1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinehexanoic acid
CID 18794107
Ethyl 7-[1-(3-hydroxy-3-methyldecyl)-3,6-dioxopiperidin-2-yl]heptanoate
CID 20563117
Tert-butyl 6-(hydroxymethyl)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 22629845
tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate
CID 54533699
tert-butyl (3S)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate
CID 57176022

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate (CID 134949805) is tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate is CC(=O)C[C@H](C)C[C@@H]1CCC[C@@H](CCO)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate?
The InChIKey is RAEQPMRWAWOHSX-BPUTZDHNSA-N. The full InChI is InChI=1S/C18H33NO4/c1-13(11-14(2)21)12-16-8-6-7-15(9-10-20)19(16)17(22)23-18(3,4)5/h13,15-16,20H,6-12H2,1-5H3/t13-,15-,16-/m0/s1.
What are the key properties of tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate?
tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate is sourced from PubChem (CID 134949805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).