tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate

C14H21N3O3S — CID 108889284

IUPACtert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccs2)CC1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-8-6-16(7-9-17)12(18)15-11-5-4-10-21-11/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChIKeyNGFNGFMRAHEDJY-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.83
Rot. Bonds1

About tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate

tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate (PubChem CID 108889284) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
PubChem CID108889284
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nametert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccs2)CC1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-8-6-16(7-9-17)12(18)15-11-5-4-10-21-11/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChIKeyNGFNGFMRAHEDJY-UHFFFAOYSA-N
XLogP2.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
4-(2,3-dimethylphenyl)-N-thiophen-2-ylpiperazine-1-carboxamide;hydrochloride
CID 108889235
tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
CID 104933493
tert-butyl 4-[(4-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 47039906
tert-butyl 4-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,4-diazepane-1-carboxylate
CID 95752769
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide
CID 100702386
2-methyl-N-thiophen-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 121185472
tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 68777852
tert-butyl 1,1-dioxo-7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 121191531
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate (CID 108889284) is tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccs2)CC1.
What is the InChIKey of tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is NGFNGFMRAHEDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-8-6-16(7-9-17)12(18)15-11-5-4-10-21-11/h4-5,10H,6-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108889284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).