N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide

C16H20N3O2S2+ — CID 9180837

IUPACN-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1
InChIInChI=1S/C16H19N3O2S2/c20-15(10-17-16(21)14-2-1-8-23-14)19-6-4-18(5-7-19)11-13-3-9-22-12-13/h1-3,8-9,12H,4-7,10-11H2,(H,17,21)/p+1
InChIKeyFXNIHDVAPYSISJ-UHFFFAOYSA-O
MW350.49 g/mol
LogP0.47
Rot. Bonds5

About N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 9180837) has the molecular formula C16H20N3O2S2+ and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID9180837
Molecular FormulaC16H20N3O2S2+
Molecular Weight350.49 g/mol
Exact Mass350.10
IUPAC NameN-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1
InChIInChI=1S/C16H19N3O2S2/c20-15(10-17-16(21)14-2-1-8-23-14)19-6-4-18(5-7-19)11-13-3-9-22-12-13/h1-3,8-9,12H,4-7,10-11H2,(H,17,21)/p+1
InChIKeyFXNIHDVAPYSISJ-UHFFFAOYSA-O
XLogP0.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide
CID 9109526
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 43390914
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide
CID 4230629
N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 9254175
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone
CID 9180755
N-[2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 84586202
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9037224
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4744215
N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17458334

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide (CID 9180837) is N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1.
What is the InChIKey of N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is FXNIHDVAPYSISJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N3O2S2/c20-15(10-17-16(21)14-2-1-8-23-14)19-6-4-18(5-7-19)11-13-3-9-22-12-13/h1-3,8-9,12H,4-7,10-11H2,(H,17,21)/p+1.
What are the key properties of N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9180837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).