5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide

C12H17N3O2S — CID 61175116

IUPAC5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCNCC2)s1
InChIInChI=1S/C12H17N3O2S/c1-9-2-3-10(18-9)12(17)14-8-11(16)15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3,(H,14,17)
InChIKeyIJKIDKIHCORAME-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.22
Rot. Bonds3

About 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide

5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 61175116) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
PubChem CID61175116
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCNCC2)s1
InChIInChI=1S/C12H17N3O2S/c1-9-2-3-10(18-9)12(17)14-8-11(16)15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3,(H,14,17)
InChIKeyIJKIDKIHCORAME-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31196088
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 43403221
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29260837
N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745910
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18140355
5-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 31669649
5-methyl-N-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 18146017
N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18157517
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
(2-oxo-2-piperidin-1-ylethyl) 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 35726305
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79030355

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide (CID 61175116) is 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCNCC2)s1.
What is the InChIKey of 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is IJKIDKIHCORAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-2-3-10(18-9)12(17)14-8-11(16)15-6-4-13-5-7-15/h2-3,13H,4-8H2,1H3,(H,14,17).
What are the key properties of 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide?
5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61175116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).