1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one

C29H31FN2O2 — CID 70356191

IUPAC1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
SMILESCCC(N1CCC(OC(c2ccccc2)c2ccccc2)CC1)N1C(=O)Cc2cc(F)ccc21
InChIInChI=1S/C29H31FN2O2/c1-2-27(32-26-14-13-24(30)19-23(26)20-28(32)33)31-17-15-25(16-18-31)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,25,27,29H,2,15-18,20H2,1H3
InChIKeyAIXUQHZTWRJLOP-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.72
Rot. Bonds7

About 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one

1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one (PubChem CID 70356191) has the molecular formula C29H31FN2O2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
PubChem CID70356191
Molecular FormulaC29H31FN2O2
Molecular Weight458.58 g/mol
Exact Mass458.24
IUPAC Name1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
SMILESCCC(N1CCC(OC(c2ccccc2)c2ccccc2)CC1)N1C(=O)Cc2cc(F)ccc21
InChIInChI=1S/C29H31FN2O2/c1-2-27(32-26-14-13-24(30)19-23(26)20-28(32)33)31-17-15-25(16-18-31)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,25,27,29H,2,15-18,20H2,1H3
InChIKeyAIXUQHZTWRJLOP-UHFFFAOYSA-N
XLogP5.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one?
The IUPAC name of 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one (CID 70356191) is 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one.
What is the SMILES notation for 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one?
The canonical SMILES for 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one is CCC(N1CCC(OC(c2ccccc2)c2ccccc2)CC1)N1C(=O)Cc2cc(F)ccc21.
What is the InChIKey of 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one?
The InChIKey is AIXUQHZTWRJLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O2/c1-2-27(32-26-14-13-24(30)19-23(26)20-28(32)33)31-17-15-25(16-18-31)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,25,27,29H,2,15-18,20H2,1H3.
What are the key properties of 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one?
1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one has a molecular weight of 458.58 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one is sourced from PubChem (CID 70356191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).