ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate

C13H18N2O3S — CID 2123310

IUPACethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-18-13(17)15-6-4-14(5-7-15)12(16)9-11-3-8-19-10-11/h3,8,10H,2,4-7,9H2,1H3
InChIKeyMRYKTNIPACAHFU-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.59
Rot. Bonds3

About ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate

ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate (PubChem CID 2123310) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
PubChem CID2123310
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-18-13(17)15-6-4-14(5-7-15)12(16)9-11-3-8-19-10-11/h3,8,10H,2,4-7,9H2,1H3
InChIKeyMRYKTNIPACAHFU-UHFFFAOYSA-N
XLogP1.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 24685250
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 762661
1-[4-(2-Methoxyacetyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 53522132
N-Methyl-N-[(oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91914991
1-[(5aR,9aS)-4-[2-(dimethylamino)ethyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-3-ylethanone
CID 97403379
1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
CID 40137163
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-3-ylacetamide
CID 2448294
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 53150814
3-Thiopheneacetamide, N-[2-[4-(2-methoxyethyl)-1-piperidinyl]-2-oxoethyl]-N-methyl-
CID 53151075
1-Ethyl-5-({4-[2-(thiophen-3-YL)acetyl]piperazin-1-YL}methyl)-1,2-dihydropyridin-2-one
CID 53191698
1-methyl-5-({4-[2-(3-thienyl)acetyl]piperazino}methyl)-2(1H)-pyridinone
CID 53191718

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate (CID 2123310) is ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate?
The InChIKey is MRYKTNIPACAHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-18-13(17)15-6-4-14(5-7-15)12(16)9-11-3-8-19-10-11/h3,8,10H,2,4-7,9H2,1H3.
What are the key properties of ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate?
ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 2123310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).