ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate

C14H19N3O4S — CID 2622962

IUPACethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cccs2)CC1
InChIInChI=1S/C14H19N3O4S/c1-2-21-14(20)17-7-5-16(6-8-17)12(18)10-15-13(19)11-4-3-9-22-11/h3-4,9H,2,5-8,10H2,1H3,(H,15,19)
InChIKeyUYAHBRJIPRUXQE-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.78
Rot. Bonds4

About ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate (PubChem CID 2622962) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
PubChem CID2622962
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Nameethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cccs2)CC1
InChIInChI=1S/C14H19N3O4S/c1-2-21-14(20)17-7-5-16(6-8-17)12(18)10-15-13(19)11-4-3-9-22-11/h3-4,9H,2,5-8,10H2,1H3,(H,15,19)
InChIKeyUYAHBRJIPRUXQE-UHFFFAOYSA-N
XLogP0.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 43390914
N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9037224
N-[2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9271160
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
ethyl 4-[2-[(2,6-dimethoxybenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 110285411
N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 9254175
N-[2-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9163541
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 154743258
N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17458334

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate (CID 2622962) is ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is UYAHBRJIPRUXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-2-21-14(20)17-7-5-16(6-8-17)12(18)10-15-13(19)11-4-3-9-22-11/h3-4,9H,2,5-8,10H2,1H3,(H,15,19).
What are the key properties of ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 2622962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).