N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide

C12H15N3O3S — CID 47135814

IUPACN-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H15N3O3S/c1-8(14-11(17)9-3-2-6-19-9)12(18)15-5-4-13-10(16)7-15/h2-3,6,8H,4-5,7H2,1H3,(H,13,16)(H,14,17)
InChIKeyPQTQZSCXBXURMN-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.18
Rot. Bonds3

About N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 47135814) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID47135814
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H15N3O3S/c1-8(14-11(17)9-3-2-6-19-9)12(18)15-5-4-13-10(16)7-15/h2-3,6,8H,4-5,7H2,1H3,(H,13,16)(H,14,17)
InChIKeyPQTQZSCXBXURMN-UHFFFAOYSA-N
XLogP-0.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 51300241
N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 154793364
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47008426
N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86903665
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46471453
2-methyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372062
(3R,4R)-4-cyclopropyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 120979034
N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 102934059
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide (CID 47135814) is N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)N1CCNC(=O)C1.
What is the InChIKey of N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is PQTQZSCXBXURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8(14-11(17)9-3-2-6-19-9)12(18)15-5-4-13-10(16)7-15/h2-3,6,8H,4-5,7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 281.34 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47135814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).