(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene

C21H24FN3O — CID 174396061

IUPAC(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
SMILESCCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.Fc1ccccc1
InChIInChI=1S/C15H19N3O.C6H5F/c1-2-17-7-9-18(10-8-17)15(19)13-3-4-14-12(11-13)5-6-16-14;7-6-4-2-1-3-5-6/h3-6,11,16H,2,7-10H2,1H3;1-5H
InChIKeyIZLSFHSOEYCFNZ-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.77
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene

(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene (PubChem CID 174396061) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
PubChem CID174396061
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
SMILESCCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.Fc1ccccc1
InChIInChI=1S/C15H19N3O.C6H5F/c1-2-17-7-9-18(10-8-17)15(19)13-3-4-14-12(11-13)5-6-16-14;7-6-4-2-1-3-5-6/h3-6,11,16H,2,7-10H2,1H3;1-5H
InChIKeyIZLSFHSOEYCFNZ-UHFFFAOYSA-N
XLogP3.77
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 25093354
1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 71828821
(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
CID 146098508
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
CID 174808821
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene (CID 174396061) is (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene is CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.Fc1ccccc1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene?
The InChIKey is IZLSFHSOEYCFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C6H5F/c1-2-17-7-9-18(10-8-17)15(19)13-3-4-14-12(11-13)5-6-16-14;7-6-4-2-1-3-5-6/h3-6,11,16H,2,7-10H2,1H3;1-5H.
What are the key properties of (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene?
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene has a molecular weight of 353.44 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene is sourced from PubChem (CID 174396061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).