tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate

C11H20FN3O3 — CID 174350769

IUPACtert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](F)CN(C(N)=O)C1
InChIInChI=1S/C11H20FN3O3/c1-11(2,3)18-10(17)14-8-4-7(12)5-15(6-8)9(13)16/h7-8H,4-6H2,1-3H3,(H2,13,16)(H,14,17)/t7-,8+/m0/s1
InChIKeyZVXMJQAVSMYMTH-JGVFFNPUSA-N
MW261.30 g/mol
LogP1.00
Rot. Bonds1

About tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate

tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate (PubChem CID 174350769) has the molecular formula C11H20FN3O3 and a molecular weight of 261.30 g/mol. Its IUPAC name is tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate
PubChem CID174350769
Molecular FormulaC11H20FN3O3
Molecular Weight261.30 g/mol
Exact Mass261.15
IUPAC Nametert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](F)CN(C(N)=O)C1
InChIInChI=1S/C11H20FN3O3/c1-11(2,3)18-10(17)14-8-4-7(12)5-15(6-8)9(13)16/h7-8H,4-6H2,1-3H3,(H2,13,16)(H,14,17)/t7-,8+/m0/s1
InChIKeyZVXMJQAVSMYMTH-JGVFFNPUSA-N
XLogP1.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate (CID 174350769) is tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H](F)CN(C(N)=O)C1.
What is the InChIKey of tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate?
The InChIKey is ZVXMJQAVSMYMTH-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H20FN3O3/c1-11(2,3)18-10(17)14-8-4-7(12)5-15(6-8)9(13)16/h7-8H,4-6H2,1-3H3,(H2,13,16)(H,14,17)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate?
tert-butyl N-[(3R,5S)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate has a molecular weight of 261.30 g/mol, XLogP of 1.00, 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)-1-carbamoyl-5-fluoropiperidin-3-yl]carbamate is sourced from PubChem (CID 174350769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).