7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one

C22H25FN2O3 — CID 67770290

IUPAC7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCC(O)N3CCC(O)(c4ccccc4)CC3)cc(F)c2N1
InChIInChI=1S/C22H25FN2O3/c23-18-13-15(12-16-14-19(26)24-21(16)18)6-7-20(27)25-10-8-22(28,9-11-25)17-4-2-1-3-5-17/h1-5,12-13,20,27-28H,6-11,14H2,(H,24,26)
InChIKeyDGHPFJLGMAWVKE-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.55
Rot. Bonds5

About 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one

7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one (PubChem CID 67770290) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one
PubChem CID67770290
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCC(O)N3CCC(O)(c4ccccc4)CC3)cc(F)c2N1
InChIInChI=1S/C22H25FN2O3/c23-18-13-15(12-16-14-19(26)24-21(16)18)6-7-20(27)25-10-8-22(28,9-11-25)17-4-2-1-3-5-17/h1-5,12-13,20,27-28H,6-11,14H2,(H,24,26)
InChIKeyDGHPFJLGMAWVKE-UHFFFAOYSA-N
XLogP2.55
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one (CID 67770290) is 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCC(O)N3CCC(O)(c4ccccc4)CC3)cc(F)c2N1.
What is the InChIKey of 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one?
The InChIKey is DGHPFJLGMAWVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-18-13-15(12-16-14-19(26)24-21(16)18)6-7-20(27)25-10-8-22(28,9-11-25)17-4-2-1-3-5-17/h1-5,12-13,20,27-28H,6-11,14H2,(H,24,26).
What are the key properties of 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one?
7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one has a molecular weight of 384.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 67770290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).