thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate

C13H18N2O3S — CID 143396047

IUPACthiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-10(2)14-5-7-15(8-6-14)13(17)18-12(16)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeySJCNQBGBPXTSBL-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.05
Rot. Bonds2

About thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate

thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 143396047) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namethiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID143396047
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namethiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC(=O)c2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-10(2)14-5-7-15(8-6-14)13(17)18-12(16)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeySJCNQBGBPXTSBL-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
N-[3-methyl-1-oxo-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 86926544
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
methylcarbamoyl thiophene-2-carboxylate
CID 143396062
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
[(3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97457824
[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] thiophene-2-carboxylate
CID 30580321
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
methyl 4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxylate
CID 110346802

Frequently Asked Questions

What is the IUPAC name of thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate (CID 143396047) is thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC(=O)c2cccs2)CC1.
What is the InChIKey of thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is SJCNQBGBPXTSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10(2)14-5-7-15(8-6-14)13(17)18-12(16)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate?
thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carbonyl 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 143396047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).