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

C18H24ClN3O2S2 — CID 119345742

IUPAC[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCCCC1
InChIInChI=1S/C18H23N3O2S2.ClH/c19-18(5-2-1-3-6-18)17(23)21-9-7-20(8-10-21)16(22)15-12-14-13(25-15)4-11-24-14;/h4,11-12H,1-3,5-10,19H2;1H
InChIKeyDZFJFOBAEYHAKL-UHFFFAOYSA-N
MW414.00 g/mol
LogP3.33
Rot. Bonds2

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

[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride (PubChem CID 119345742) has the molecular formula C18H24ClN3O2S2 and a molecular weight of 414.00 g/mol. Its IUPAC name is [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
PubChem CID119345742
Molecular FormulaC18H24ClN3O2S2
Molecular Weight414.00 g/mol
Exact Mass413.10
IUPAC Name[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCCCC1
InChIInChI=1S/C18H23N3O2S2.ClH/c19-18(5-2-1-3-6-18)17(23)21-9-7-20(8-10-21)16(22)15-12-14-13(25-15)4-11-24-14;/h4,11-12H,1-3,5-10,19H2;1H
InChIKeyDZFJFOBAEYHAKL-UHFFFAOYSA-N
XLogP3.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.00
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 120639154
N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide
CID 80745423
2-amino-2-phenyl-1-[4-(thieno[3,2-b]thiophene-5-carbonyl)piperazin-1-yl]propan-1-one
CID 120594453
(1-methylpyrrol-2-yl)-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone
CID 24735274
[4-(bromomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80740068
[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119297822
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 119932470
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 119333628
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 122150795
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride?
The IUPAC name of [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride (CID 119345742) is [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride?
The canonical SMILES for [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride is Cl.NC1(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)CCCCC1.
What is the InChIKey of [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride?
The InChIKey is DZFJFOBAEYHAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2.ClH/c19-18(5-2-1-3-6-18)17(23)21-9-7-20(8-10-21)16(22)15-12-14-13(25-15)4-11-24-14;/h4,11-12H,1-3,5-10,19H2;1H.
What are the key properties of [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride?
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride has a molecular weight of 414.00 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride is sourced from PubChem (CID 119345742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).