tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate

C18H34N2O5 — CID 59868405

IUPACtert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCCC(O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O5/c1-17(2,3)24-15(22)19-10-7-14(21)13-8-11-20(12-9-13)16(23)25-18(4,5)6/h13-14,21H,7-12H2,1-6H3,(H,19,22)
InChIKeyOSNVFEJFYKBTKF-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.91
Rot. Bonds4

About tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate

tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate (PubChem CID 59868405) has the molecular formula C18H34N2O5 and a molecular weight of 358.48 g/mol. Its IUPAC name is tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate
PubChem CID59868405
Molecular FormulaC18H34N2O5
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC Nametert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCCC(O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O5/c1-17(2,3)24-15(22)19-10-7-14(21)13-8-11-20(12-9-13)16(23)25-18(4,5)6/h13-14,21H,7-12H2,1-6H3,(H,19,22)
InChIKeyOSNVFEJFYKBTKF-UHFFFAOYSA-N
XLogP2.91
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate (CID 59868405) is tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)NCCC(O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate?
The InChIKey is OSNVFEJFYKBTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O5/c1-17(2,3)24-15(22)19-10-7-14(21)13-8-11-20(12-9-13)16(23)25-18(4,5)6/h13-14,21H,7-12H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate?
tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 59868405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).