2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone

C21H24FN3O2 — CID 22390855

IUPAC2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCOc2ccc(F)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H24FN3O2/c22-18-5-7-19(8-6-18)27-16-15-23-11-13-24(14-12-23)21(26)25-10-9-17-3-1-2-4-20(17)25/h1-8H,9-16H2
InChIKeyBPVIPBHMRXDYOO-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.00
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone

2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 22390855) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID22390855
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(CCOc2ccc(F)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H24FN3O2/c22-18-5-7-19(8-6-18)27-16-15-23-11-13-24(14-12-23)21(26)25-10-9-17-3-1-2-4-20(17)25/h1-8H,9-16H2
InChIKeyBPVIPBHMRXDYOO-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
CID 22390830
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
1-[2-(4-fluorophenoxy)ethyl]-2,3-dihydroindole
CID 82089229
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 9357373
2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
CID 110638341
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 24736914
4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid
CID 166266296
2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61015179

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone (CID 22390855) is 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone is O=C(N1CCN(CCOc2ccc(F)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is BPVIPBHMRXDYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-5-7-19(8-6-18)27-16-15-23-11-13-24(14-12-23)21(26)25-10-9-17-3-1-2-4-20(17)25/h1-8H,9-16H2.
What are the key properties of 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone?
2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 369.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 22390855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).