N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide

C22H22N4O2S — CID 58080685

IUPACN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCn1c(=O)c(C#N)c(N2CCC(NC(=O)Cc3cccs3)CC2)c2ccccc21
InChIInChI=1S/C22H22N4O2S/c1-25-19-7-3-2-6-17(19)21(18(14-23)22(25)28)26-10-8-15(9-11-26)24-20(27)13-16-5-4-12-29-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)
InChIKeyBZEKWYDINMLJSM-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.80
Rot. Bonds4

About N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide

N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 58080685) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
PubChem CID58080685
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCn1c(=O)c(C#N)c(N2CCC(NC(=O)Cc3cccs3)CC2)c2ccccc21
InChIInChI=1S/C22H22N4O2S/c1-25-19-7-3-2-6-17(19)21(18(14-23)22(25)28)26-10-8-15(9-11-26)24-20(27)13-16-5-4-12-29-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)
InChIKeyBZEKWYDINMLJSM-UHFFFAOYSA-N
XLogP2.80
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide (CID 58080685) is N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide is Cn1c(=O)c(C#N)c(N2CCC(NC(=O)Cc3cccs3)CC2)c2ccccc21.
What is the InChIKey of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is BZEKWYDINMLJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-25-19-7-3-2-6-17(19)21(18(14-23)22(25)28)26-10-8-15(9-11-26)24-20(27)13-16-5-4-12-29-16/h2-7,12,15H,8-11,13H2,1H3,(H,24,27).
What are the key properties of N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 406.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 58080685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).