methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate

C23H23FN2O5 — CID 59846730

IUPACmethyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)N(C1CCN(C(=O)OCc3ccccc3)CC1)C(=O)C2
InChIInChI=1S/C23H23FN2O5/c1-30-22(28)18-11-16-12-21(27)26(20(16)13-19(18)24)17-7-9-25(10-8-17)23(29)31-14-15-5-3-2-4-6-15/h2-6,11,13,17H,7-10,12,14H2,1H3
InChIKeyFMWPOFCPCJNNRL-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.30
Rot. Bonds4

About methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate

methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate (PubChem CID 59846730) has the molecular formula C23H23FN2O5 and a molecular weight of 426.44 g/mol. Its IUPAC name is methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate
PubChem CID59846730
Molecular FormulaC23H23FN2O5
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Namemethyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)N(C1CCN(C(=O)OCc3ccccc3)CC1)C(=O)C2
InChIInChI=1S/C23H23FN2O5/c1-30-22(28)18-11-16-12-21(27)26(20(16)13-19(18)24)17-7-9-25(10-8-17)23(29)31-14-15-5-3-2-4-6-15/h2-6,11,13,17H,7-10,12,14H2,1H3
InChIKeyFMWPOFCPCJNNRL-UHFFFAOYSA-N
XLogP3.30
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate?
The IUPAC name of methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate (CID 59846730) is methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate is COC(=O)c1cc2c(cc1F)N(C1CCN(C(=O)OCc3ccccc3)CC1)C(=O)C2.
What is the InChIKey of methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate?
The InChIKey is FMWPOFCPCJNNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5/c1-30-22(28)18-11-16-12-21(27)26(20(16)13-19(18)24)17-7-9-25(10-8-17)23(29)31-14-15-5-3-2-4-6-15/h2-6,11,13,17H,7-10,12,14H2,1H3.
What are the key properties of methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate?
methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate has a molecular weight of 426.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-oxo-1-(1-phenylmethoxycarbonylpiperidin-4-yl)-3H-indole-5-carboxylate is sourced from PubChem (CID 59846730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).