[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone

C15H20N2O3S2 — CID 122150795

IUPAC[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCOC(CN1CCN(C(=O)c2cc3sccc3s2)CC1)OC
InChIInChI=1S/C15H20N2O3S2/c1-19-14(20-2)10-16-4-6-17(7-5-16)15(18)13-9-12-11(22-13)3-8-21-12/h3,8-9,14H,4-7,10H2,1-2H3
InChIKeyYYHBSVBFRURERQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.34
Rot. Bonds5

About [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone

[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 122150795) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID122150795
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCOC(CN1CCN(C(=O)c2cc3sccc3s2)CC1)OC
InChIInChI=1S/C15H20N2O3S2/c1-19-14(20-2)10-16-4-6-17(7-5-16)15(18)13-9-12-11(22-13)3-8-21-12/h3,8-9,14H,4-7,10H2,1-2H3
InChIKeyYYHBSVBFRURERQ-UHFFFAOYSA-N
XLogP2.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 119932470
[4-(bromomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80740068
[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 119932473
(1-methylpyrrol-2-yl)-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone
CID 24735274
2-amino-2-phenyl-1-[4-(thieno[3,2-b]thiophene-5-carbonyl)piperazin-1-yl]propan-1-one
CID 120594453
[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 120639154
1-[4-(thieno[3,2-b]thiophene-5-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940589
N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide
CID 80745423
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 119345742
(3-bromo-4-methylpiperidin-1-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 102962098
[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80746000
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone (CID 122150795) is [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone is COC(CN1CCN(C(=O)c2cc3sccc3s2)CC1)OC.
What is the InChIKey of [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is YYHBSVBFRURERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-19-14(20-2)10-16-4-6-17(7-5-16)15(18)13-9-12-11(22-13)3-8-21-12/h3,8-9,14H,4-7,10H2,1-2H3.
What are the key properties of [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 340.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 122150795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).