[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone

C23H25FN2O2 — CID 53037950

IUPAC[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-6-3-4-18(14-20)16-28-13-10-17-8-11-26(12-9-17)23(27)22-15-19-5-1-2-7-21(19)25-22/h1-7,14-15,17,25H,8-13,16H2
InChIKeyIHPLTAOFUZVZEM-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.77
Rot. Bonds6

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

[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 53037950) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID53037950
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(CCOCc2cccc(F)c2)CC1
InChIInChI=1S/C23H25FN2O2/c24-20-6-3-4-18(14-20)16-28-13-10-17-8-11-26(12-9-17)23(27)22-15-19-5-1-2-7-21(19)25-22/h1-7,14-15,17,25H,8-13,16H2
InChIKeyIHPLTAOFUZVZEM-UHFFFAOYSA-N
XLogP4.77
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-2-methoxyethanone
CID 53150642
(2-ethylpyrazol-3-yl)-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53150657
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 22660610
[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone
CID 143770271
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 142459376

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone (CID 53037950) is [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCC(CCOCc2cccc(F)c2)CC1.
What is the InChIKey of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is IHPLTAOFUZVZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-20-6-3-4-18(14-20)16-28-13-10-17-8-11-26(12-9-17)23(27)22-15-19-5-1-2-7-21(19)25-22/h1-7,14-15,17,25H,8-13,16H2.
What are the key properties of [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone?
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 380.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 53037950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).