N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide

C13H19N3O2S — CID 107434506

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
SMILESCC(C)C(NC(=O)C1CNC(=O)CN1)c1cccs1
InChIInChI=1S/C13H19N3O2S/c1-8(2)12(10-4-3-5-19-10)16-13(18)9-6-15-11(17)7-14-9/h3-5,8-9,12,14H,6-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXEYLXPUTUYTCSP-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.65
Rot. Bonds4

About N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide

N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434506) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434506
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
SMILESCC(C)C(NC(=O)C1CNC(=O)CN1)c1cccs1
InChIInChI=1S/C13H19N3O2S/c1-8(2)12(10-4-3-5-19-10)16-13(18)9-6-15-11(17)7-14-9/h3-5,8-9,12,14H,6-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXEYLXPUTUYTCSP-UHFFFAOYSA-N
XLogP0.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 95281938
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
CID 107434402
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107434854
N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261513
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide (CID 107434506) is N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide is CC(C)C(NC(=O)C1CNC(=O)CN1)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is XEYLXPUTUYTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8(2)12(10-4-3-5-19-10)16-13(18)9-6-15-11(17)7-14-9/h3-5,8-9,12,14H,6-7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).