tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate

C20H36N2O4 — CID 44523441

IUPACtert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H36N2O4/c1-19(2,3)25-17(23)21-11-7-15(8-12-21)16-9-13-22(14-10-16)18(24)26-20(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyLTWYWFHCRIFTIF-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.28
Rot. Bonds1

About tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 44523441) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate
PubChem CID44523441
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nametert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H36N2O4/c1-19(2,3)25-17(23)21-11-7-15(8-12-21)16-9-13-22(14-10-16)18(24)26-20(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyLTWYWFHCRIFTIF-UHFFFAOYSA-N
XLogP4.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate (CID 44523441) is tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is LTWYWFHCRIFTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-19(2,3)25-17(23)21-11-7-15(8-12-21)16-9-13-22(14-10-16)18(24)26-20(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 368.52 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 44523441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).