4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide

C17H23FN2O4S — CID 110306646

IUPAC4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H23FN2O4S/c18-15-6-4-14(5-7-15)16(21)8-9-17(22)19-10-13-25(23,24)20-11-2-1-3-12-20/h4-7H,1-3,8-13H2,(H,19,22)
InChIKeyDCRUFWOFQWJNFU-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.72
Rot. Bonds8

About 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide

4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide (PubChem CID 110306646) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
PubChem CID110306646
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H23FN2O4S/c18-15-6-4-14(5-7-15)16(21)8-9-17(22)19-10-13-25(23,24)20-11-2-1-3-12-20/h4-7H,1-3,8-13H2,(H,19,22)
InChIKeyDCRUFWOFQWJNFU-UHFFFAOYSA-N
XLogP1.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650
1-(4-fluorophenyl)-2-pyrrolidin-1-ylsulfonylethanone
CID 16727412
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 119620648
N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299788
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 16801509
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345378
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
CID 110342628
4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 24636041

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide (CID 110306646) is 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide is O=C(CCC(=O)c1ccc(F)cc1)NCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide?
The InChIKey is DCRUFWOFQWJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c18-15-6-4-14(5-7-15)16(21)8-9-17(22)19-10-13-25(23,24)20-11-2-1-3-12-20/h4-7H,1-3,8-13H2,(H,19,22).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide?
4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide has a molecular weight of 370.45 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide is sourced from PubChem (CID 110306646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).