N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide

C12H16IN3O2S — CID 79694089

IUPACN-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C12H16IN3O2S/c1-2-15-11(17)9-6-14-3-4-16(9)12(18)8-5-10(13)19-7-8/h5,7,9,14H,2-4,6H2,1H3,(H,15,17)
InChIKeyHFTXPXQJHLPLHO-UHFFFAOYSA-N
MW393.25 g/mol
LogP0.90
Rot. Bonds3

About N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide

N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide (PubChem CID 79694089) has the molecular formula C12H16IN3O2S and a molecular weight of 393.25 g/mol. Its IUPAC name is N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
PubChem CID79694089
Molecular FormulaC12H16IN3O2S
Molecular Weight393.25 g/mol
Exact Mass393.00
IUPAC NameN-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C12H16IN3O2S/c1-2-15-11(17)9-6-14-3-4-16(9)12(18)8-5-10(13)19-7-8/h5,7,9,14H,2-4,6H2,1H3,(H,15,17)
InChIKeyHFTXPXQJHLPLHO-UHFFFAOYSA-N
XLogP0.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxylic acid
CID 79693821
(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470762
1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
CID 107990513
1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963605
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 66334816
1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide
CID 79163472
N-ethyl-1-(piperidine-1-carbonyl)piperazine-2-carboxamide
CID 79155644
[4-(azetidin-3-yl)piperazin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693177
ethyl 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514
N-ethyl-1-(3-methoxypyridine-4-carbonyl)piperazine-2-carboxamide
CID 105064126
1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide
CID 83157135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide (CID 79694089) is N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide is CCNC(=O)C1CNCCN1C(=O)c1csc(I)c1.
What is the InChIKey of N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is HFTXPXQJHLPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O2S/c1-2-15-11(17)9-6-14-3-4-16(9)12(18)8-5-10(13)19-7-8/h5,7,9,14H,2-4,6H2,1H3,(H,15,17).
What are the key properties of N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide?
N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 393.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 79694089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).