2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide

C21H22FN3O — CID 75277373

IUPAC2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2[nH]cc(C3CCNCC3)c2c1
InChIInChI=1S/C21H22FN3O/c22-16-3-1-14(2-4-16)11-21(26)25-17-5-6-20-18(12-17)19(13-24-20)15-7-9-23-10-8-15/h1-6,12-13,15,23-24H,7-11H2,(H,25,26)
InChIKeyUQJDOYKPKPJIFW-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.96
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide

2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide (PubChem CID 75277373) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide
PubChem CID75277373
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2[nH]cc(C3CCNCC3)c2c1
InChIInChI=1S/C21H22FN3O/c22-16-3-1-14(2-4-16)11-21(26)25-17-5-6-20-18(12-17)19(13-24-20)15-7-9-23-10-8-15/h1-6,12-13,15,23-24H,7-11H2,(H,25,26)
InChIKeyUQJDOYKPKPJIFW-UHFFFAOYSA-N
XLogP3.96
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide (CID 75277373) is 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc2[nH]cc(C3CCNCC3)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide?
The InChIKey is UQJDOYKPKPJIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-16-3-1-14(2-4-16)11-21(26)25-17-5-6-20-18(12-17)19(13-24-20)15-7-9-23-10-8-15/h1-6,12-13,15,23-24H,7-11H2,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide?
2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)acetamide is sourced from PubChem (CID 75277373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).