[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C18H19FN2O3S — CID 51144873

IUPAC[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H19FN2O3S/c19-13-3-1-5-15-12(13)11-16(25-15)18(23)21-8-6-20(7-9-21)17(22)14-4-2-10-24-14/h1,3,5,11,14H,2,4,6-10H2
InChIKeyVSYMQGUXUYUNKJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.50
Rot. Bonds2

About [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 51144873) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID51144873
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H19FN2O3S/c19-13-3-1-5-15-12(13)11-16(25-15)18(23)21-8-6-20(7-9-21)17(22)14-4-2-10-24-14/h1,3,5,11,14H,2,4,6-10H2
InChIKeyVSYMQGUXUYUNKJ-UHFFFAOYSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 6976204
[4-(4-methyl-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 1244175
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 84583540
[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144850
[4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 1246967
methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
CID 51153857
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 43057357
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9370296
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 31482465
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 51144873) is [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1cc2c(F)cccc2s1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is VSYMQGUXUYUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-13-3-1-5-15-12(13)11-16(25-15)18(23)21-8-6-20(7-9-21)17(22)14-4-2-10-24-14/h1,3,5,11,14H,2,4,6-10H2.
What are the key properties of [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 51144873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).