[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone

C19H19Cl2N3OS — CID 22017541

IUPAC[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C19H19Cl2N3OS/c20-17-12-14(18(21)26-17)4-6-23-7-9-24(10-8-23)19(25)15-1-2-16-13(11-15)3-5-22-16/h1-3,5,11-12,22H,4,6-10H2
InChIKeyUQGHRKLAGLIVDG-UHFFFAOYSA-N
MW408.35 g/mol
LogP4.54
Rot. Bonds4

About [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone

[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 22017541) has the molecular formula C19H19Cl2N3OS and a molecular weight of 408.35 g/mol. Its IUPAC name is [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID22017541
Molecular FormulaC19H19Cl2N3OS
Molecular Weight408.35 g/mol
Exact Mass407.06
IUPAC Name[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C19H19Cl2N3OS/c20-17-12-14(18(21)26-17)4-6-23-7-9-24(10-8-23)19(25)15-1-2-16-13(11-15)3-5-22-16/h1-3,5,11-12,22H,4,6-10H2
InChIKeyUQGHRKLAGLIVDG-UHFFFAOYSA-N
XLogP4.54
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride
CID 162310957
1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 71828821
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 15166395
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone
CID 174436559
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 25093354
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1H-indole-5-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916342
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone (CID 22017541) is [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2cc(Cl)sc2Cl)CC1.
What is the InChIKey of [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is UQGHRKLAGLIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3OS/c20-17-12-14(18(21)26-17)4-6-23-7-9-24(10-8-23)19(25)15-1-2-16-13(11-15)3-5-22-16/h1-3,5,11-12,22H,4,6-10H2.
What are the key properties of [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 408.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 22017541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).