4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C16H19N3O3S — CID 166181138

IUPAC4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1
InChIInChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21)
InChIKeyFSJIDIRPKORUPE-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.32
Rot. Bonds3

About 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 166181138) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID166181138
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1
InChIInChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21)
InChIKeyFSJIDIRPKORUPE-UHFFFAOYSA-N
XLogP2.32
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-thiazole-4-carbonyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 138379787
4-(2-methylpyrazole-3-carbonyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 138378141
4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide
CID 86879884
4-(5-methylfuran-2-carbonyl)-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 86880960
2-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134078020
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879934
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879794
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
4-(1,3-benzodioxol-5-ylmethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 94478472
4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
CID 86879955
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-methylfuran-2-carboxylate
CID 47011570
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 166181138) is 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NCc3cccs3)CC2)o1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FSJIDIRPKORUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 166181138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).