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

C21H38N2O4 — CID 11689479

IUPACtert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCCC(C)C1CN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CCC1O
InChIInChI=1S/C21H38N2O4/c1-6-15(2)17-14-23(12-9-18(17)24)19(25)13-16-7-10-22(11-8-16)20(26)27-21(3,4)5/h15-18,24H,6-14H2,1-5H3
InChIKeyLPUTXODAUWYZRH-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.28
Rot. Bonds4

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

tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 11689479) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID11689479
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC Nametert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCCC(C)C1CN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CCC1O
InChIInChI=1S/C21H38N2O4/c1-6-15(2)17-14-23(12-9-18(17)24)19(25)13-16-7-10-22(11-8-16)20(26)27-21(3,4)5/h15-18,24H,6-14H2,1-5H3
InChIKeyLPUTXODAUWYZRH-UHFFFAOYSA-N
XLogP3.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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

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Related Compounds

(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
CID 139190423
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-(3-tert-butyl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11625138
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 11689479) is tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is CCC(C)C1CN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CCC1O.
What is the InChIKey of tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is LPUTXODAUWYZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O4/c1-6-15(2)17-14-23(12-9-18(17)24)19(25)13-16-7-10-22(11-8-16)20(26)27-21(3,4)5/h15-18,24H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(3-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 382.55 g/mol, XLogP of 3.28, 4 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-butan-2-yl-4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 11689479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).