2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone

C22H23FN2O2 — CID 113087543

IUPAC2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C22H23FN2O2/c1-27-18-6-7-21-19(13-18)20(14-24-21)16-8-10-25(11-9-16)22(26)12-15-2-4-17(23)5-3-15/h2-7,13-14,16,24H,8-12H2,1H3
InChIKeyDZMZZMFPELQCCB-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.26
Rot. Bonds4

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

2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 113087543) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID113087543
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C22H23FN2O2/c1-27-18-6-7-21-19(13-18)20(14-24-21)16-8-10-25(11-9-16)22(26)12-15-2-4-17(23)5-3-15/h2-7,13-14,16,24H,8-12H2,1H3
InChIKeyDZMZZMFPELQCCB-UHFFFAOYSA-N
XLogP4.26
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-pyrimidin-5-ylethanone
CID 100729080
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
2-(3,4-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087627
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-(3-methylphenyl)ethanone
CID 113087416
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 86833054
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone (CID 113087543) is 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone is COc1ccc2[nH]cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is DZMZZMFPELQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-27-18-6-7-21-19(13-18)20(14-24-21)16-8-10-25(11-9-16)22(26)12-15-2-4-17(23)5-3-15/h2-7,13-14,16,24H,8-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 366.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113087543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).