1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide

C13H16N4O2S — CID 743993

IUPAC1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1c(C(=O)N2CCC(C(N)=O)CC2)sc(N)c1C#N
InChIInChI=1S/C13H16N4O2S/c1-7-9(6-14)12(16)20-10(7)13(19)17-4-2-8(3-5-17)11(15)18/h8H,2-5,16H2,1H3,(H2,15,18)
InChIKeyRWVILMNDGLHUTA-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.85
Rot. Bonds2

About 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide

1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 743993) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID743993
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1c(C(=O)N2CCC(C(N)=O)CC2)sc(N)c1C#N
InChIInChI=1S/C13H16N4O2S/c1-7-9(6-14)12(16)20-10(7)13(19)17-4-2-8(3-5-17)11(15)18/h8H,2-5,16H2,1H3,(H2,15,18)
InChIKeyRWVILMNDGLHUTA-UHFFFAOYSA-N
XLogP0.85
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 673648
6-Acetyl-2-amino-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxamide
CID 25219685
6-acetyl-2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
N-[5-(N,N-diethylcarbamoyl)-3-cyano-4-methyl(2-thienyl)]-2-methylpropanamide
CID 829009
2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
CID 685920
5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methyl-2-thiophenecarboxamide
CID 869161
N-[3-cyano-4-methyl-5-(piperidylcarbonyl)(2-thienyl)]cyclopropylcarboxamide
CID 650633
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-propionamide
CID 655573
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)isobutyramide
CID 4647918
6-Acetyl-2-isobutyramido-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 5079311

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 743993) is 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide is Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc(N)c1C#N.
What is the InChIKey of 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is RWVILMNDGLHUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7-9(6-14)12(16)20-10(7)13(19)17-4-2-8(3-5-17)11(15)18/h8H,2-5,16H2,1H3,(H2,15,18).
What are the key properties of 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide?
1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-cyano-3-methylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 743993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).