tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate

C17H32N2O4 — CID 58332092

IUPACtert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-12-9-10-19(15(21)23-17(5,6)7)11-13(12)18(8)14(20)22-16(2,3)4/h12-13H,9-11H2,1-8H3/t12-,13+/m1/s1
InChIKeyJKTHBYNKZDJPQV-OLZOCXBDSA-N
MW328.45 g/mol
LogP3.50
Rot. Bonds1

About tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate

tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate (PubChem CID 58332092) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
PubChem CID58332092
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-12-9-10-19(15(21)23-17(5,6)7)11-13(12)18(8)14(20)22-16(2,3)4/h12-13H,9-11H2,1-8H3/t12-,13+/m1/s1
InChIKeyJKTHBYNKZDJPQV-OLZOCXBDSA-N
XLogP3.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate (CID 58332092) is tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate is C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is JKTHBYNKZDJPQV-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-12-9-10-19(15(21)23-17(5,6)7)11-13(12)18(8)14(20)22-16(2,3)4/h12-13H,9-11H2,1-8H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 328.45 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 58332092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).