tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate

C11H20N2O4 — CID 58670152

IUPACtert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate
SMILESCOC1CNC(=O)C(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-8-5-7(16-4)6-12-9(8)14/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyLVEANMBDXXVJET-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.41
Rot. Bonds2

About tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate

tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate (PubChem CID 58670152) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate
PubChem CID58670152
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate
SMILESCOC1CNC(=O)C(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-8-5-7(16-4)6-12-9(8)14/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyLVEANMBDXXVJET-UHFFFAOYSA-N
XLogP0.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (R)-(4-methyl-1-morpholino-1-oxopentan-2-yl)carbamate
CID 28367626
tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 122675690
[(3S)-5,5-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl] butanoate
CID 175023863
tert-butyl N-[1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 175188195
trans-Myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester
CID 10813018
tert-butyl (S)-(4-(7-oxo-2-oxa-5,8-diazaspiro[3.5]nonan-6-yl)butyl)carbamate
CID 124249355
propan-2-yl N-[(3S)-2-oxopiperidin-3-yl]carbamate
CID 116655470
tert-butyl N-[(3S,5R)-5-hydroxy-2-oxo-3-piperidyl]carbamate
CID 177789115
[(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate
CID 10754639
tert-Butyl (S)-(4-methyl-1-morpholino-1-oxopentan-2-yl)carbamate
CID 11055696
tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate
CID 11666568
Tert-butyl 2-carbamoyl-4-methoxypyrrolidine-1-carboxylate
CID 17856447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate (CID 58670152) is tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate is COC1CNC(=O)C(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate?
The InChIKey is LVEANMBDXXVJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-8-5-7(16-4)6-12-9(8)14/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate?
tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate has a molecular weight of 244.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methoxy-2-oxopiperidin-3-yl)carbamate is sourced from PubChem (CID 58670152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).