methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate

C24H25FN2O3 — CID 147588423

IUPACmethyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C24H25FN2O3/c1-30-24(29)15-27-10-8-17(9-11-27)18-4-7-21-19(13-18)14-22(26-21)23(28)12-16-2-5-20(25)6-3-16/h2-7,13-14,17,26H,8-12,15H2,1H3
InChIKeyFXUOBTUWVNXAMC-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.08
Rot. Bonds6

About methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate

methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate (PubChem CID 147588423) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate
PubChem CID147588423
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Namemethyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C24H25FN2O3/c1-30-24(29)15-27-10-8-17(9-11-27)18-4-7-21-19(13-18)14-22(26-21)23(28)12-16-2-5-20(25)6-3-16/h2-7,13-14,17,26H,8-12,15H2,1H3
InChIKeyFXUOBTUWVNXAMC-UHFFFAOYSA-N
XLogP4.08
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate (CID 147588423) is methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate is COC(=O)CN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1.
What is the InChIKey of methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate?
The InChIKey is FXUOBTUWVNXAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-30-24(29)15-27-10-8-17(9-11-27)18-4-7-21-19(13-18)14-22(26-21)23(28)12-16-2-5-20(25)6-3-16/h2-7,13-14,17,26H,8-12,15H2,1H3.
What are the key properties of methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate?
methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate has a molecular weight of 408.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[2-(4-fluorophenyl)acetyl]-1H-indol-5-yl]piperidin-1-yl]acetate is sourced from PubChem (CID 147588423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).