4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate

C17H23FN3O4- — CID 58793975

IUPAC4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)Nc1cc(CN2CCC(F)(C(=O)[O-])CC2)ccn1
InChIInChI=1S/C17H24FN3O4/c1-16(2,3)25-15(24)20-13-10-12(4-7-19-13)11-21-8-5-17(18,6-9-21)14(22)23/h4,7,10H,5-6,8-9,11H2,1-3H3,(H,22,23)(H,19,20,24)/p-1
InChIKeyNIQNGRFOOZFPOR-UHFFFAOYSA-M
MW352.39 g/mol
LogP1.48
Rot. Bonds4

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

4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate (PubChem CID 58793975) has the molecular formula C17H23FN3O4- and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate
PubChem CID58793975
Molecular FormulaC17H23FN3O4-
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)Nc1cc(CN2CCC(F)(C(=O)[O-])CC2)ccn1
InChIInChI=1S/C17H24FN3O4/c1-16(2,3)25-15(24)20-13-10-12(4-7-19-13)11-21-8-5-17(18,6-9-21)14(22)23/h4,7,10H,5-6,8-9,11H2,1-3H3,(H,22,23)(H,19,20,24)/p-1
InChIKeyNIQNGRFOOZFPOR-UHFFFAOYSA-M
XLogP1.48
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate?
The IUPAC name of 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate (CID 58793975) is 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate is CC(C)(C)OC(=O)Nc1cc(CN2CCC(F)(C(=O)[O-])CC2)ccn1.
What is the InChIKey of 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate?
The InChIKey is NIQNGRFOOZFPOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H24FN3O4/c1-16(2,3)25-15(24)20-13-10-12(4-7-19-13)11-21-8-5-17(18,6-9-21)14(22)23/h4,7,10H,5-6,8-9,11H2,1-3H3,(H,22,23)(H,19,20,24)/p-1.
What are the key properties of 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate?
4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 58793975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).