2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone

C21H21FN2O — CID 113088564

IUPAC2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C21H21FN2O/c22-18-9-7-15(8-10-18)12-21(25)24-11-3-5-17(14-24)20-13-16-4-1-2-6-19(16)23-20/h1-2,4,6-10,13,17,23H,3,5,11-12,14H2
InChIKeyHMHMJXLJWTTWJT-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.26
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 113088564) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID113088564
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C21H21FN2O/c22-18-9-7-15(8-10-18)12-21(25)24-11-3-5-17(14-24)20-13-16-4-1-2-6-19(16)23-20/h1-2,4,6-10,13,17,23H,3,5,11-12,14H2
InChIKeyHMHMJXLJWTTWJT-UHFFFAOYSA-N
XLogP4.26
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113088771
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92572228
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 92597487
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone (CID 113088564) is 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is HMHMJXLJWTTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-18-9-7-15(8-10-18)12-21(25)24-11-3-5-17(14-24)20-13-16-4-1-2-6-19(16)23-20/h1-2,4,6-10,13,17,23H,3,5,11-12,14H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 336.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113088564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).