tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate

C13H22N2O4 — CID 59415619

IUPACtert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate
SMILESCC(=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O4/c1-9(16)8-15-7-5-6-10(11(15)17)14-12(18)19-13(2,3)4/h10H,5-8H2,1-4H3,(H,14,18)/t10-/m0/s1
InChIKeyHMWNCVUOCZPNEK-JTQLQIEISA-N
MW270.33 g/mol
LogP1.09
Rot. Bonds3

About tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate

tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate (PubChem CID 59415619) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate
PubChem CID59415619
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate
SMILESCC(=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O4/c1-9(16)8-15-7-5-6-10(11(15)17)14-12(18)19-13(2,3)4/h10H,5-8H2,1-4H3,(H,14,18)/t10-/m0/s1
InChIKeyHMWNCVUOCZPNEK-JTQLQIEISA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate (CID 59415619) is tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate is CC(=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate?
The InChIKey is HMWNCVUOCZPNEK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(16)8-15-7-5-6-10(11(15)17)14-12(18)19-13(2,3)4/h10H,5-8H2,1-4H3,(H,14,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-2-oxo-1-(2-oxopropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 59415619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).