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

C24H32FN3O6 — CID 24739798

IUPACpropan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOCCOc1ccc(Nc2nccc(OC3CCN(C(=O)OC(C)C)CC3)c2OC)c(F)c1
InChIInChI=1S/C24H32FN3O6/c1-16(2)33-24(29)28-11-8-17(9-12-28)34-21-7-10-26-23(22(21)31-4)27-20-6-5-18(15-19(20)25)32-14-13-30-3/h5-7,10,15-17H,8-9,11-14H2,1-4H3,(H,26,27)
InChIKeyWEPZUETUYBSYDA-UHFFFAOYSA-N
MW477.53 g/mol
LogP4.39
Rot. Bonds10

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

propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 24739798) has the molecular formula C24H32FN3O6 and a molecular weight of 477.53 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID24739798
Molecular FormulaC24H32FN3O6
Molecular Weight477.53 g/mol
Exact Mass477.23
IUPAC Namepropan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCOCCOc1ccc(Nc2nccc(OC3CCN(C(=O)OC(C)C)CC3)c2OC)c(F)c1
InChIInChI=1S/C24H32FN3O6/c1-16(2)33-24(29)28-11-8-17(9-12-28)34-21-7-10-26-23(22(21)31-4)27-20-6-5-18(15-19(20)25)32-14-13-30-3/h5-7,10,15-17H,8-9,11-14H2,1-4H3,(H,26,27)
InChIKeyWEPZUETUYBSYDA-UHFFFAOYSA-N
XLogP4.39
TPSA91.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 24739798) is propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is COCCOc1ccc(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-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is WEPZUETUYBSYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O6/c1-16(2)33-24(29)28-11-8-17(9-12-28)34-21-7-10-26-23(22(21)31-4)27-20-6-5-18(15-19(20)25)32-14-13-30-3/h5-7,10,15-17H,8-9,11-14H2,1-4H3,(H,26,27).
What are the key properties of propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[2-[2-fluoro-4-(2-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 477.53 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 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-methoxyethoxy)anilino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 24739798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).