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

C19H20Cl3N3OS — CID 162310957

IUPAC[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccc2[nH]ccc12)N1CCN(CCc2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C19H19Cl2N3OS.ClH/c20-17-12-13(18(21)26-17)5-7-23-8-10-24(11-9-23)19(25)15-2-1-3-16-14(15)4-6-22-16;/h1-4,6,12,22H,5,7-11H2;1H
InChIKeyRUJWKYLTOANZFS-UHFFFAOYSA-N
MW444.82 g/mol
LogP4.96
Rot. Bonds4

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

[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride (PubChem CID 162310957) has the molecular formula C19H20Cl3N3OS and a molecular weight of 444.82 g/mol. Its IUPAC name is [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride
PubChem CID162310957
Molecular FormulaC19H20Cl3N3OS
Molecular Weight444.82 g/mol
Exact Mass443.04
IUPAC Name[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccc2[nH]ccc12)N1CCN(CCc2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C19H19Cl2N3OS.ClH/c20-17-12-13(18(21)26-17)5-7-23-8-10-24(11-9-23)19(25)15-2-1-3-16-14(15)4-6-22-16;/h1-4,6,12,22H,5,7-11H2;1H
InChIKeyRUJWKYLTOANZFS-UHFFFAOYSA-N
XLogP4.96
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 22017541
[4-[2-(1H-indol-4-yl)ethyl]piperazin-1-yl]-phenylmethanone
CID 174436559
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126913604
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
2-[2-[4-(1H-indole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915831
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
CID 65360904

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride?
The IUPAC name of [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride (CID 162310957) is [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride is Cl.O=C(c1cccc2[nH]ccc12)N1CCN(CCc2cc(Cl)sc2Cl)CC1.
What is the InChIKey of [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride?
The InChIKey is RUJWKYLTOANZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3OS.ClH/c20-17-12-13(18(21)26-17)5-7-23-8-10-24(11-9-23)19(25)15-2-1-3-16-14(15)4-6-22-16;/h1-4,6,12,22H,5,7-11H2;1H.
What are the key properties of [4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride?
[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-4-yl)methanone;hydrochloride has a molecular weight of 444.82 g/mol, XLogP of 4.96, 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-4-yl)methanone;hydrochloride is sourced from PubChem (CID 162310957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).