4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide

C20H24N2O2S — CID 39759961

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C20H24N2O2S/c1-15-9-11-19(25-15)18(23)10-12-20(24)21-16-7-3-4-8-17(16)22-13-5-2-6-14-22/h3-4,7-9,11H,2,5-6,10,12-14H2,1H3,(H,21,24)
InChIKeyIFKCHFLVZOLNGU-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.65
Rot. Bonds6

About 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide (PubChem CID 39759961) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
PubChem CID39759961
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C20H24N2O2S/c1-15-9-11-19(25-15)18(23)10-12-20(24)21-16-7-3-4-8-17(16)22-13-5-2-6-14-22/h3-4,7-9,11H,2,5-6,10,12-14H2,1H3,(H,21,24)
InChIKeyIFKCHFLVZOLNGU-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
CID 35328091
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
N-(3-chloro-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 39889391
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 46526087
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
CID 30235975

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide (CID 39759961) is 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCCCC2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide?
The InChIKey is IFKCHFLVZOLNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-9-11-19(25-15)18(23)10-12-20(24)21-16-7-3-4-8-17(16)22-13-5-2-6-14-22/h3-4,7-9,11H,2,5-6,10,12-14H2,1H3,(H,21,24).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide has a molecular weight of 356.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 39759961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).