tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

C17H30N2O4 — CID 20792751

IUPACtert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-8-4-13(5-9-19)12-15(21)18-10-6-14(20)7-11-18/h13-14,20H,4-12H2,1-3H3
InChIKeyQHLVQQXLINMZND-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.01
Rot. Bonds2

About tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 20792751) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID20792751
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-8-4-13(5-9-19)12-15(21)18-10-6-14(20)7-11-18/h13-14,20H,4-12H2,1-3H3
InChIKeyQHLVQQXLINMZND-UHFFFAOYSA-N
XLogP2.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 20792751) is tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is QHLVQQXLINMZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-8-4-13(5-9-19)12-15(21)18-10-6-14(20)7-11-18/h13-14,20H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 20792751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).