2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone

C24H25FN2O — CID 160644566

IUPAC2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone
SMILESC=CCN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C24H25FN2O/c1-2-11-27-12-9-18(10-13-27)19-5-8-22-20(15-19)16-23(26-22)24(28)14-17-3-6-21(25)7-4-17/h2-8,15-16,18,26H,1,9-14H2
InChIKeyRJPSBZKAYSQXPQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.10
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone

2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone (PubChem CID 160644566) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone
PubChem CID160644566
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone
SMILESC=CCN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C24H25FN2O/c1-2-11-27-12-9-18(10-13-27)19-5-8-22-20(15-19)16-23(26-22)24(28)14-17-3-6-21(25)7-4-17/h2-8,15-16,18,26H,1,9-14H2
InChIKeyRJPSBZKAYSQXPQ-UHFFFAOYSA-N
XLogP5.10
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone (CID 160644566) is 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone is C=CCN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone?
The InChIKey is RJPSBZKAYSQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-2-11-27-12-9-18(10-13-27)19-5-8-22-20(15-19)16-23(26-22)24(28)14-17-3-6-21(25)7-4-17/h2-8,15-16,18,26H,1,9-14H2.
What are the key properties of 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone?
2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone has a molecular weight of 376.48 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[5-(1-prop-2-enylpiperidin-4-yl)-1H-indol-2-yl]ethanone is sourced from PubChem (CID 160644566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).