1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone

C25H22FNO3S — CID 45206143

IUPAC1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCC(C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)cs1
InChIInChI=1S/C25H22FNO3S/c1-16(28)23-13-20(15-31-23)25(30)27-11-5-8-19(14-27)24(29)18-9-10-21(22(26)12-18)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1H3
InChIKeyZWHARZDDNQWCCM-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.49
Rot. Bonds5

About 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone

1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 45206143) has the molecular formula C25H22FNO3S and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID45206143
Molecular FormulaC25H22FNO3S
Molecular Weight435.52 g/mol
Exact Mass435.13
IUPAC Name1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCC(C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)cs1
InChIInChI=1S/C25H22FNO3S/c1-16(28)23-13-20(15-31-23)25(30)27-11-5-8-19(14-27)24(29)18-9-10-21(22(26)12-18)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1H3
InChIKeyZWHARZDDNQWCCM-UHFFFAOYSA-N
XLogP5.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

(3-fluoro-4-phenylphenyl)-[(3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]methanone
CID 42241584
(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
CID 26393022
N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
CID 45241693
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 25490028
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-fluoro-4-phenylphenyl)methanone
CID 25283984
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
cyclopentyl-(3-fluoro-4-phenylphenyl)methanone
CID 146006711
(3-fluoro-4-phenylphenyl)-[(3S)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
CID 42595705
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
1-[4-[(3S)-3-(4-methoxy-2-methylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 42458351
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethanone
CID 45169691
4-[(3R)-1-(5-acetylthiophene-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97197017

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 45206143) is 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1cc(C(=O)N2CCCC(C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)cs1.
What is the InChIKey of 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is ZWHARZDDNQWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO3S/c1-16(28)23-13-20(15-31-23)25(30)27-11-5-8-19(14-27)24(29)18-9-10-21(22(26)12-18)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1H3.
What are the key properties of 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 435.52 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 45206143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).