propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate

C24H32FN3O5 — CID 11532723

IUPACpropan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCCCOc1ccc(Nc2nccc(OC3CCN(C(=O)OC(C)C)CC3)c2OC)c(F)c1
InChIInChI=1S/C24H32FN3O5/c1-5-14-31-18-6-7-20(19(25)15-18)27-23-22(30-4)21(8-11-26-23)33-17-9-12-28(13-10-17)24(29)32-16(2)3/h6-8,11,15-17H,5,9-10,12-14H2,1-4H3,(H,26,27)
InChIKeyCMCAHMCKVSOHQK-UHFFFAOYSA-N
MW461.53 g/mol
LogP5.15
Rot. Bonds9

About propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate

propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 11532723) has the molecular formula C24H32FN3O5 and a molecular weight of 461.53 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID11532723
Molecular FormulaC24H32FN3O5
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC Namepropan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCCCOc1ccc(Nc2nccc(OC3CCN(C(=O)OC(C)C)CC3)c2OC)c(F)c1
InChIInChI=1S/C24H32FN3O5/c1-5-14-31-18-6-7-20(19(25)15-18)27-23-22(30-4)21(8-11-26-23)33-17-9-12-28(13-10-17)24(29)32-16(2)3/h6-8,11,15-17H,5,9-10,12-14H2,1-4H3,(H,26,27)
InChIKeyCMCAHMCKVSOHQK-UHFFFAOYSA-N
XLogP5.15
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 11532723) is propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is CCCOc1ccc(Nc2nccc(OC3CCN(C(=O)OC(C)C)CC3)c2OC)c(F)c1.
What is the InChIKey of propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is CMCAHMCKVSOHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O5/c1-5-14-31-18-6-7-20(19(25)15-18)27-23-22(30-4)21(8-11-26-23)33-17-9-12-28(13-10-17)24(29)32-16(2)3/h6-8,11,15-17H,5,9-10,12-14H2,1-4H3,(H,26,27).
What are the key properties of propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 461.53 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(2-fluoro-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 11532723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).