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

C22H23FN2O2 — CID 113088256

IUPAC2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2[nH]c(C3CCN(C(=O)Cc4ccccc4F)CC3)cc2c1
InChIInChI=1S/C22H23FN2O2/c1-27-18-6-7-20-17(12-18)13-21(24-20)15-8-10-25(11-9-15)22(26)14-16-4-2-3-5-19(16)23/h2-7,12-13,15,24H,8-11,14H2,1H3
InChIKeyWNPRGNVBXZWIAR-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.26
Rot. Bonds4

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

2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 113088256) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID113088256
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2[nH]c(C3CCN(C(=O)Cc4ccccc4F)CC3)cc2c1
InChIInChI=1S/C22H23FN2O2/c1-27-18-6-7-20-17(12-18)13-21(24-20)15-8-10-25(11-9-15)22(26)14-16-4-2-3-5-19(16)23/h2-7,12-13,15,24H,8-11,14H2,1H3
InChIKeyWNPRGNVBXZWIAR-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

2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
N-cyclohexyl-4-(5-methoxy-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088262
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284
2-(2-fluorophenyl)-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110726106
2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70729934
2-(2,4-dimethoxyphenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114132

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone (CID 113088256) is 2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone is COc1ccc2[nH]c(C3CCN(C(=O)Cc4ccccc4F)CC3)cc2c1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is WNPRGNVBXZWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-27-18-6-7-20-17(12-18)13-21(24-20)15-8-10-25(11-9-15)22(26)14-16-4-2-3-5-19(16)23/h2-7,12-13,15,24H,8-11,14H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-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-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113088256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).