5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide

C11H15N3O2S — CID 107436034

IUPAC5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCCc2ccsc2)CN1
InChIInChI=1S/C11H15N3O2S/c15-10-6-13-9(5-14-10)11(16)12-3-1-8-2-4-17-7-8/h2,4,7,9,13H,1,3,5-6H2,(H,12,16)(H,14,15)
InChIKeyIBBMNXOWLXYFIV-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.51
Rot. Bonds4

About 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide

5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide (PubChem CID 107436034) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
PubChem CID107436034
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCCc2ccsc2)CN1
InChIInChI=1S/C11H15N3O2S/c15-10-6-13-9(5-14-10)11(16)12-3-1-8-2-4-17-7-8/h2,4,7,9,13H,1,3,5-6H2,(H,12,16)(H,14,15)
InChIKeyIBBMNXOWLXYFIV-UHFFFAOYSA-N
XLogP-0.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436261
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2-carboxamide
CID 106381374
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
CID 106390933
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470795
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436502
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide (CID 107436034) is 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide is O=C1CNC(C(=O)NCCc2ccsc2)CN1.
What is the InChIKey of 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide?
The InChIKey is IBBMNXOWLXYFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-10-6-13-9(5-14-10)11(16)12-3-1-8-2-4-17-7-8/h2,4,7,9,13H,1,3,5-6H2,(H,12,16)(H,14,15).
What are the key properties of 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide?
5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 107436034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).