[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium

C17H22N3O3S+ — CID 8921319

IUPAC[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccco1
InChIInChI=1S/C17H21N3O3S/c1-13(14-4-2-10-23-14)18-12-16(21)19-6-8-20(9-7-19)17(22)15-5-3-11-24-15/h2-5,10-11,13,18H,6-9,12H2,1H3/p+1/t13-/m1/s1
InChIKeyMBYDJTAMUNFVCM-CYBMUJFWSA-O
MW348.45 g/mol
LogP0.95
Rot. Bonds5

About [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium

[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium (PubChem CID 8921319) has the molecular formula C17H22N3O3S+ and a molecular weight of 348.45 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
PubChem CID8921319
Molecular FormulaC17H22N3O3S+
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccco1
InChIInChI=1S/C17H21N3O3S/c1-13(14-4-2-10-23-14)18-12-16(21)19-6-8-20(9-7-19)17(22)15-5-3-11-24-15/h2-5,10-11,13,18H,6-9,12H2,1H3/p+1/t13-/m1/s1
InChIKeyMBYDJTAMUNFVCM-CYBMUJFWSA-O
XLogP0.95
TPSA70.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium with MolForge

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Related Compounds

[(1S)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8921314
[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8710418
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9132808
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium?
The IUPAC name of [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium (CID 8921319) is [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium.
What is the SMILES notation for [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium?
The canonical SMILES for [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium is C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccco1.
What is the InChIKey of [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium?
The InChIKey is MBYDJTAMUNFVCM-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H21N3O3S/c1-13(14-4-2-10-23-14)18-12-16(21)19-6-8-20(9-7-19)17(22)15-5-3-11-24-15/h2-5,10-11,13,18H,6-9,12H2,1H3/p+1/t13-/m1/s1.
What are the key properties of [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium?
[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium has a molecular weight of 348.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium is sourced from PubChem (CID 8921319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).