ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate

C12H16N2O3S — CID 668931

IUPACethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C12H16N2O3S/c1-2-17-12(16)14-7-5-13(6-8-14)11(15)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3
InChIKeyARSWMQVJDOVPTA-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.66
Rot. Bonds2

About ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate (PubChem CID 668931) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate
PubChem CID668931
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Nameethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C12H16N2O3S/c1-2-17-12(16)14-7-5-13(6-8-14)11(15)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3
InChIKeyARSWMQVJDOVPTA-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
Thiophene-2-carboxylic acid, morpholide
CID 531921
N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
CID 2814290
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate (CID 668931) is ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is ARSWMQVJDOVPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-17-12(16)14-7-5-13(6-8-14)11(15)10-4-3-9-18-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 268.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(thiophene-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 668931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).