1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone

C22H23FN2O — CID 113087417

IUPAC1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C22H23FN2O/c1-15-2-4-16(5-3-15)12-22(26)25-10-8-17(9-11-25)20-14-24-21-7-6-18(23)13-19(20)21/h2-7,13-14,17,24H,8-12H2,1H3
InChIKeyVGSMPFKPKNCYDC-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.56
Rot. Bonds3

About 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone

1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 113087417) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID113087417
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C22H23FN2O/c1-15-2-4-16(5-3-15)12-22(26)25-10-8-17(9-11-25)20-14-24-21-7-6-18(23)13-19(20)21/h2-7,13-14,17,24H,8-12H2,1H3
InChIKeyVGSMPFKPKNCYDC-UHFFFAOYSA-N
XLogP4.56
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087416
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 84579139
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 113087417) is 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is VGSMPFKPKNCYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-15-2-4-16(5-3-15)12-22(26)25-10-8-17(9-11-25)20-14-24-21-7-6-18(23)13-19(20)21/h2-7,13-14,17,24H,8-12H2,1H3.
What are the key properties of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 350.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 113087417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).