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

C17H23N3OS2 — CID 119932473

IUPAC[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESO=C(c1cc2sccc2s1)N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C17H23N3OS2/c21-17(16-10-15-14(23-16)3-9-22-15)20-7-5-19(6-8-20)12-13-2-1-4-18-11-13/h3,9-10,13,18H,1-2,4-8,11-12H2
InChIKeyNTWZBNJIENPDCA-UHFFFAOYSA-N
MW349.53 g/mol
LogP2.72
Rot. Bonds3

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

[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 119932473) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID119932473
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESO=C(c1cc2sccc2s1)N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C17H23N3OS2/c21-17(16-10-15-14(23-16)3-9-22-15)20-7-5-19(6-8-20)12-13-2-1-4-18-11-13/h3,9-10,13,18H,1-2,4-8,11-12H2
InChIKeyNTWZBNJIENPDCA-UHFFFAOYSA-N
XLogP2.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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
N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930083
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 122150795
(2,3-dichlorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930219
1-[4-(thieno[3,2-b]thiophene-5-carbonyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940589
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 102679789
(3-methoxy-4-methylphenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone
CID 119930660
[4-(piperidin-3-ylmethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119930211
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817

Frequently Asked Questions

What is the IUPAC name of [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone (CID 119932473) is [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone is O=C(c1cc2sccc2s1)N1CCN(CC2CCCNC2)CC1.
What is the InChIKey of [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is NTWZBNJIENPDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c21-17(16-10-15-14(23-16)3-9-22-15)20-7-5-19(6-8-20)12-13-2-1-4-18-11-13/h3,9-10,13,18H,1-2,4-8,11-12H2.
What are the key properties of [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
[4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 349.53 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidin-3-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 119932473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).