1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone

C21H21FN2O2 — CID 113087621

IUPAC1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H21FN2O2/c22-16-6-7-18-19(13-23-20(18)12-16)15-8-10-24(11-9-15)21(25)14-26-17-4-2-1-3-5-17/h1-7,12-13,15,23H,8-11,14H2
InChIKeySNFYVEFLIHFRME-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone

1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 113087621) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID113087621
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H21FN2O2/c22-16-6-7-18-19(13-23-20(18)12-16)15-8-10-24(11-9-15)21(25)14-26-17-4-2-1-3-5-17/h1-7,12-13,15,23H,8-11,14H2
InChIKeySNFYVEFLIHFRME-UHFFFAOYSA-N
XLogP4.09
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone
CID 113087756
4-[[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-oxoacetyl]amino]butanoic acid
CID 167977981
1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087714

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone (CID 113087621) is 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is SNFYVEFLIHFRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-16-6-7-18-19(13-23-20(18)12-16)15-8-10-24(11-9-15)21(25)14-26-17-4-2-1-3-5-17/h1-7,12-13,15,23H,8-11,14H2.
What are the key properties of 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 352.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 113087621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).