tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

C21H38N2O4 — CID 11625138

IUPACtert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C21H38N2O4/c1-20(2,3)16-14-23(12-9-17(16)24)18(25)13-15-7-10-22(11-8-15)19(26)27-21(4,5)6/h15-17,24H,7-14H2,1-6H3
InChIKeyNLXFVZMIYOVDCT-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.28
Rot. Bonds2

About tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 11625138) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID11625138
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC Nametert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C21H38N2O4/c1-20(2,3)16-14-23(12-9-17(16)24)18(25)13-15-7-10-22(11-8-15)19(26)27-21(4,5)6/h15-17,24H,7-14H2,1-6H3
InChIKeyNLXFVZMIYOVDCT-UHFFFAOYSA-N
XLogP3.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[2-(4-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11501010
Tert-butyl 4-[2-(2-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11523801
Tert-butyl 4-[2-(3-ethyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11566556
Tert-butyl 4-[2-(4-hydroxy-2-propan-2-ylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11574217
Tert-butyl 4-[2-[4-hydroxy-2-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 11581745
Tert-butyl 4-[2-(2-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11602553
Tert-butyl 4-[2-(4-hydroxy-2-propylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11603106
Tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11609811
Tert-butyl 4-[2-(4-hydroxy-3-propylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11632069
Tert-butyl 4-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11645819
Tert-butyl 4-[2-(2-ethyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11660374
Tert-butyl 4-[2-[4-hydroxy-3-(2-methylpropyl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 11668079

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 11625138) is tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(O)C(C(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is NLXFVZMIYOVDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O4/c1-20(2,3)16-14-23(12-9-17(16)24)18(25)13-15-7-10-22(11-8-15)19(26)27-21(4,5)6/h15-17,24H,7-14H2,1-6H3.
What are the key properties of tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 382.55 g/mol, XLogP of 3.28, 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-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 11625138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).