tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate

C18H32N2O5 — CID 90272489

IUPACtert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2C(=O)OC[C@H]2C(C)(C)O)CC1
InChIInChI=1S/C18H32N2O5/c1-17(2,3)25-15(21)19-9-6-13(7-10-19)8-11-20-14(18(4,5)23)12-24-16(20)22/h13-14,23H,6-12H2,1-5H3/t14-/m0/s1
InChIKeyMNUHUXZRXIRUQY-AWEZNQCLSA-N
MW356.46 g/mol
LogP2.62
Rot. Bonds4

About tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate (PubChem CID 90272489) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate
PubChem CID90272489
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Nametert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2C(=O)OC[C@H]2C(C)(C)O)CC1
InChIInChI=1S/C18H32N2O5/c1-17(2,3)25-15(21)19-9-6-13(7-10-19)8-11-20-14(18(4,5)23)12-24-16(20)22/h13-14,23H,6-12H2,1-5H3/t14-/m0/s1
InChIKeyMNUHUXZRXIRUQY-AWEZNQCLSA-N
XLogP2.62
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
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CID 53249196
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
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tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
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tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79698015
tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate (CID 90272489) is tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCN2C(=O)OC[C@H]2C(C)(C)O)CC1.
What is the InChIKey of tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is MNUHUXZRXIRUQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-17(2,3)25-15(21)19-9-6-13(7-10-19)8-11-20-14(18(4,5)23)12-24-16(20)22/h13-14,23H,6-12H2,1-5H3/t14-/m0/s1.
What are the key properties of tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 356.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4S)-4-(2-hydroxypropan-2-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 90272489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).