tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate

C12H22FN3O3 — CID 174350903

IUPACtert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate
SMILESCNC(=O)N1C[C@@H](F)C[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22FN3O3/c1-12(2,3)19-11(18)15-9-5-8(13)6-16(7-9)10(17)14-4/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,18)/t8-,9+/m0/s1
InChIKeyRXWBUWZHKATDOY-DTWKUNHWSA-N
MW275.32 g/mol
LogP1.26
Rot. Bonds1

About tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate

tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate (PubChem CID 174350903) has the molecular formula C12H22FN3O3 and a molecular weight of 275.32 g/mol. Its IUPAC name is tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate
PubChem CID174350903
Molecular FormulaC12H22FN3O3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Nametert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate
SMILESCNC(=O)N1C[C@@H](F)C[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22FN3O3/c1-12(2,3)19-11(18)15-9-5-8(13)6-16(7-9)10(17)14-4/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,18)/t8-,9+/m0/s1
InChIKeyRXWBUWZHKATDOY-DTWKUNHWSA-N
XLogP1.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate (CID 174350903) is tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate is CNC(=O)N1C[C@@H](F)C[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate?
The InChIKey is RXWBUWZHKATDOY-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H22FN3O3/c1-12(2,3)19-11(18)15-9-5-8(13)6-16(7-9)10(17)14-4/h8-9H,5-7H2,1-4H3,(H,14,17)(H,15,18)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate has a molecular weight of 275.32 g/mol, XLogP of 1.26, 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,5S)-5-fluoro-1-(methylcarbamoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 174350903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).