N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C16H19N4O2S+ — CID 9254175

IUPACN-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccs1
InChIInChI=1S/C16H18N4O2S/c21-15(12-18-16(22)14-2-1-11-23-14)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h1-6,11H,7-10,12H2,(H,18,22)/p+1
InChIKeyWEIRSSOYADTAKQ-UHFFFAOYSA-O
MW331.42 g/mol
LogP0.64
Rot. Bonds4

About N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 9254175) has the molecular formula C16H19N4O2S+ and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID9254175
Molecular FormulaC16H19N4O2S+
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC NameN-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccs1
InChIInChI=1S/C16H18N4O2S/c21-15(12-18-16(22)14-2-1-11-23-14)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h1-6,11H,7-10,12H2,(H,18,22)/p+1
InChIKeyWEIRSSOYADTAKQ-UHFFFAOYSA-O
XLogP0.64
TPSA66.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9037224
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 9255524
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-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-thiophen-2-ylacetamide
CID 113097730
N-[2-(4-isoquinolin-4-ylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 126780252
N-[2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9271160
3-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 9253941
N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 154743258
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 18104395
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 9254175) is N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccs1.
What is the InChIKey of N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is WEIRSSOYADTAKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N4O2S/c21-15(12-18-16(22)14-2-1-11-23-14)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h1-6,11H,7-10,12H2,(H,18,22)/p+1.
What are the key properties of N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9254175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).