[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride

C17H24ClN3OS2 — CID 119932470

IUPAC[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc2sccc2s1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23N3OS2.ClH/c21-17(16-11-15-14(23-16)3-10-22-15)20-8-6-19(7-9-20)12-13-1-4-18-5-2-13;/h3,10-11,13,18H,1-2,4-9,12H2;1H
InChIKeyWTGQLYBYKYOEKJ-UHFFFAOYSA-N
MW385.99 g/mol
LogP3.14
Rot. Bonds3

About [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride

[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride (PubChem CID 119932470) has the molecular formula C17H24ClN3OS2 and a molecular weight of 385.99 g/mol. Its IUPAC name is [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
PubChem CID119932470
Molecular FormulaC17H24ClN3OS2
Molecular Weight385.99 g/mol
Exact Mass385.10
IUPAC Name[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc2sccc2s1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23N3OS2.ClH/c21-17(16-11-15-14(23-16)3-10-22-15)20-8-6-19(7-9-20)12-13-1-4-18-5-2-13;/h3,10-11,13,18H,1-2,4-9,12H2;1H
InChIKeyWTGQLYBYKYOEKJ-UHFFFAOYSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.99
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride with MolForge

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Related Compounds

[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 119932473
[4-(bromomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80740068
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 119930739
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 122150795
1-[4-(thieno[3,2-b]thiophene-5-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940589
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide
CID 80745423
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485
[4-(piperidin-4-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 119930706
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 119345742

Frequently Asked Questions

What is the IUPAC name of [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride?
The IUPAC name of [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride (CID 119932470) is [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride?
The canonical SMILES for [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride is Cl.O=C(c1cc2sccc2s1)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride?
The InChIKey is WTGQLYBYKYOEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2.ClH/c21-17(16-11-15-14(23-16)3-10-22-15)20-8-6-19(7-9-20)12-13-1-4-18-5-2-13;/h3,10-11,13,18H,1-2,4-9,12H2;1H.
What are the key properties of [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride?
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride has a molecular weight of 385.99 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride is sourced from PubChem (CID 119932470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).