5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide

C12H17N3O2S — CID 103419870

IUPAC5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
SMILESCC(=O)c1sc(N2CCCCC2)c(C(N)=O)c1N
InChIInChI=1S/C12H17N3O2S/c1-7(16)10-9(13)8(11(14)17)12(18-10)15-5-3-2-4-6-15/h2-6,13H2,1H3,(H2,14,17)
InChIKeyKYXRPKWAWZHOIN-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.62
Rot. Bonds3

About 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide

5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide (PubChem CID 103419870) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
PubChem CID103419870
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
SMILESCC(=O)c1sc(N2CCCCC2)c(C(N)=O)c1N
InChIInChI=1S/C12H17N3O2S/c1-7(16)10-9(13)8(11(14)17)12(18-10)15-5-3-2-4-6-15/h2-6,13H2,1H3,(H2,14,17)
InChIKeyKYXRPKWAWZHOIN-UHFFFAOYSA-N
XLogP1.62
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844
5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide
CID 103422547
5-acetyl-4-amino-2-(3,3-dimethylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103505594
1-[3-amino-5-(azocan-1-yl)-4-methylsulfonylthiophen-2-yl]ethanone
CID 103420656
3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786
methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419080
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
CID 103418473
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103506605
ethyl 5-acetyl-4-amino-2-(1,4-oxazepan-4-yl)thiophene-3-carboxylate
CID 103421769
3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide
CID 103525005
methyl 5-acetyl-4-amino-2-piperazin-1-ylthiophene-3-carboxylate
CID 103524937

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide (CID 103419870) is 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide is CC(=O)c1sc(N2CCCCC2)c(C(N)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide?
The InChIKey is KYXRPKWAWZHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7(16)10-9(13)8(11(14)17)12(18-10)15-5-3-2-4-6-15/h2-6,13H2,1H3,(H2,14,17).
What are the key properties of 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide?
5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 103419870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).