tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate

C10H18N2O3 — CID 45092193

IUPACtert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m1/s1
InChIKeySSBSATYPIISWFD-SSDOTTSWSA-N
MW214.26 g/mol
LogP0.79
Rot. Bonds1

About tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate

tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate (PubChem CID 45092193) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate
PubChem CID45092193
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m1/s1
InChIKeySSBSATYPIISWFD-SSDOTTSWSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-methylbutyl]carbamate
CID 11492732
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]butyl]carbamate
CID 11514386
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]propyl]carbamate
CID 11550481
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]pentyl]carbamate
CID 11637576
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2-methylbutyl]carbamate
CID 23648531
3-tert-Butyloxycarbonylamino-2-piperidone
CID 124787
tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate
CID 11310728
tert-butyl N-(6-methylpiperidin-3-yl)carbamate
CID 42609251
tert-butyl N-[(2S)-1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 127049511

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate (CID 45092193) is tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCNC1=O.
What is the InChIKey of tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate?
The InChIKey is SSBSATYPIISWFD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate?
tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 45092193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).