tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate

C12H21FN2O3 — CID 171487599

IUPACtert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C12H21FN2O3/c1-12(2,3)18-11(17)15-6-5-8(9(13)7-15)10(16)14-4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyJICBHCFBZCEQIJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.33
Rot. Bonds1

About tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate

tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate (PubChem CID 171487599) has the molecular formula C12H21FN2O3 and a molecular weight of 260.31 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate
PubChem CID171487599
Molecular FormulaC12H21FN2O3
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Nametert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C12H21FN2O3/c1-12(2,3)18-11(17)15-6-5-8(9(13)7-15)10(16)14-4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyJICBHCFBZCEQIJ-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate
CID 170194480
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S,4R)-3-fluoro-4-formylpiperidine-1-carboxylate
CID 97289468
tert-butyl (3R,4S)-3-fluoro-4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 99770668
tert-butyl (3S,4S)-4-ethenoxy-3-fluoropiperidine-1-carboxylate
CID 156538377
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
tert-butyl (3R,4S)-3-fluoro-4-(trideuteriomethoxy)piperidine-1-carboxylate
CID 165390537
tert-butyl (3R,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170554641
tert-butyl (3S,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 131734058
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 156538686
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate (CID 171487599) is tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate is CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is JICBHCFBZCEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O3/c1-12(2,3)18-11(17)15-6-5-8(9(13)7-15)10(16)14-4/h8-9H,5-7H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-(methylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 171487599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).