4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile

C13H16N2OS — CID 113364805

IUPAC4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile
SMILESCc1cscc1C(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C13H16N2OS/c1-10-7-17-8-11(10)12(16)15-5-3-13(2,9-14)4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyYLCGFDHKMSNSCO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.82
Rot. Bonds1

About 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile

4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile (PubChem CID 113364805) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile
PubChem CID113364805
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile
SMILESCc1cscc1C(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C13H16N2OS/c1-10-7-17-8-11(10)12(16)15-5-3-13(2,9-14)4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyYLCGFDHKMSNSCO-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile (CID 113364805) is 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile is Cc1cscc1C(=O)N1CCC(C)(C#N)CC1.
What is the InChIKey of 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile?
The InChIKey is YLCGFDHKMSNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-7-17-8-11(10)12(16)15-5-3-13(2,9-14)4-6-15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile?
4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile has a molecular weight of 248.35 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 113364805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).