4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

C16H19N3O3S — CID 3830233

IUPAC4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1cccs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H19N3O3S/c20-15(14-4-1-11-22-14)18-7-9-19(10-8-18)16(21)17-6-5-13-3-2-12-23-13/h1-4,11-12H,5-10H2,(H,17,21)
InChIKeyAWRXDCDRULMWNV-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.05
Rot. Bonds4

About 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (PubChem CID 3830233) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
PubChem CID3830233
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1cccs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H19N3O3S/c20-15(14-4-1-11-22-14)18-7-9-19(10-8-18)16(21)17-6-5-13-3-2-12-23-13/h1-4,11-12H,5-10H2,(H,17,21)
InChIKeyAWRXDCDRULMWNV-UHFFFAOYSA-N
XLogP2.05
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 48964145
N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990328
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
4-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 4521959
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111168902
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 110397722
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide (CID 3830233) is 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is O=C(NCCc1cccs1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is AWRXDCDRULMWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-15(14-4-1-11-22-14)18-7-9-19(10-8-18)16(21)17-6-5-13-3-2-12-23-13/h1-4,11-12H,5-10H2,(H,17,21).
What are the key properties of 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 3830233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).