tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate

C20H29F2N3O4 — CID 172716585

IUPACtert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1cc(C2(F)CCN(C(=O)OC(C)(C)C)CC2)ncc1F
InChIInChI=1S/C20H29F2N3O4/c1-18(2,3)28-16(26)24-14-11-15(23-12-13(14)21)20(22)7-9-25(10-8-20)17(27)29-19(4,5)6/h11-12H,7-10H2,1-6H3,(H,23,24,26)
InChIKeyFYEGKJISOIUESJ-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.76
Rot. Bonds2

About tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 172716585) has the molecular formula C20H29F2N3O4 and a molecular weight of 413.47 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate
PubChem CID172716585
Molecular FormulaC20H29F2N3O4
Molecular Weight413.47 g/mol
Exact Mass413.21
IUPAC Nametert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)Nc1cc(C2(F)CCN(C(=O)OC(C)(C)C)CC2)ncc1F
InChIInChI=1S/C20H29F2N3O4/c1-18(2,3)28-16(26)24-14-11-15(23-12-13(14)21)20(22)7-9-25(10-8-20)17(27)29-19(4,5)6/h11-12H,7-10H2,1-6H3,(H,23,24,26)
InChIKeyFYEGKJISOIUESJ-UHFFFAOYSA-N
XLogP4.76
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[5-fluoro-2-(1-methylcyclopropyl)oxy-4-pyridinyl]carbamate
CID 162439934
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate
CID 162439842
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl 4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carboxylate;6-(4-fluoropiperidin-4-yl)pyridine-3-carbonitrile
CID 159932461
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate
CID 151484896
tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate
CID 44514533
tert-butyl 3-fluoro-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146485823
tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
CID 69000949
tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117421544
tert-butyl 4-[[(2,5-dimethyl-4-pyridinyl)amino]methyl]-4-phosphanylpiperidine-1-carboxylate
CID 143784587

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate (CID 172716585) is tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)Nc1cc(C2(F)CCN(C(=O)OC(C)(C)C)CC2)ncc1F.
What is the InChIKey of tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is FYEGKJISOIUESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O4/c1-18(2,3)28-16(26)24-14-11-15(23-12-13(14)21)20(22)7-9-25(10-8-20)17(27)29-19(4,5)6/h11-12H,7-10H2,1-6H3,(H,23,24,26).
What are the key properties of tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 172716585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).