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

C18H32N2O4 — CID 11702866

IUPACtert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCCC2(C)O)CC1
InChIInChI=1S/C18H32N2O4/c1-17(2,3)24-16(22)19-11-7-14(8-12-19)13-15(21)20-10-6-5-9-18(20,4)23/h14,23H,5-13H2,1-4H3
InChIKeyGSGIWUKYLHYXPM-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.74
Rot. Bonds2

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

tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 11702866) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID11702866
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCCC2(C)O)CC1
InChIInChI=1S/C18H32N2O4/c1-17(2,3)24-16(22)19-11-7-14(8-12-19)13-15(21)20-10-6-5-9-18(20,4)23/h14,23H,5-13H2,1-4H3
InChIKeyGSGIWUKYLHYXPM-UHFFFAOYSA-N
XLogP2.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
tert-butyl 4-(3-hydroxy-2-oxopropyl)piperidine-1-carboxylate
CID 90046892
tert-butyl 3-[(1-aminocyclopentyl)methyl]pyrrolidine-1-carboxylate
CID 115071799
tert-butyl 4-[2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 49048083
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653
tert-butyl 4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-1-carboxylate
CID 47451409
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 3-[(1-aminocyclohexyl)methyl]pyrrolidine-1-carboxylate
CID 115071806
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 11702866) is tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCCC2(C)O)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is GSGIWUKYLHYXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-17(2,3)24-16(22)19-11-7-14(8-12-19)13-15(21)20-10-6-5-9-18(20,4)23/h14,23H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 2.74, 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-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 11702866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).