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

C23H30FN3O6 — CID 11677014

IUPACpropan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1ccc(OCCO)cc1F
InChIInChI=1S/C23H30FN3O6/c1-15(2)32-23(29)27-10-7-16(8-11-27)33-20-6-9-25-22(21(20)30-3)26-19-5-4-17(14-18(19)24)31-13-12-28/h4-6,9,14-16,28H,7-8,10-13H2,1-3H3,(H,25,26)
InChIKeyXQQUPYUYDYQVIZ-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.73
Rot. Bonds9

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

propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 11677014) has the molecular formula C23H30FN3O6 and a molecular weight of 463.51 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID11677014
Molecular FormulaC23H30FN3O6
Molecular Weight463.51 g/mol
Exact Mass463.21
IUPAC Namepropan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1ccc(OCCO)cc1F
InChIInChI=1S/C23H30FN3O6/c1-15(2)32-23(29)27-10-7-16(8-11-27)33-20-6-9-25-22(21(20)30-3)26-19-5-4-17(14-18(19)24)31-13-12-28/h4-6,9,14-16,28H,7-8,10-13H2,1-3H3,(H,25,26)
InChIKeyXQQUPYUYDYQVIZ-UHFFFAOYSA-N
XLogP3.73
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 11677014) is propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is COc1c(OC2CCN(C(=O)OC(C)C)CC2)ccnc1Nc1ccc(OCCO)cc1F.
What is the InChIKey of propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is XQQUPYUYDYQVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O6/c1-15(2)32-23(29)27-10-7-16(8-11-27)33-20-6-9-25-22(21(20)30-3)26-19-5-4-17(14-18(19)24)31-13-12-28/h4-6,9,14-16,28H,7-8,10-13H2,1-3H3,(H,25,26).
What are the key properties of propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 463.51 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[2-fluoro-4-(2-hydroxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 11677014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).