1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H17FN2OS — CID 17191275

IUPAC1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN2OS/c20-14-5-7-15(8-6-14)21-9-11-22(12-10-21)19(23)17-13-24-18-4-2-1-3-16(17)18/h1-8,13H,9-12H2
InChIKeyNKUFJHMFICMPNC-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.00
Rot. Bonds2

About 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 17191275) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID17191275
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN2OS/c20-14-5-7-15(8-6-14)21-9-11-22(12-10-21)19(23)17-13-24-18-4-2-1-3-16(17)18/h1-8,13H,9-12H2
InChIKeyNKUFJHMFICMPNC-UHFFFAOYSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 1223722
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 2933523
[4-(4-fluorophenyl)piperazin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 8967208
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
1-(1-benzothiophene-3-carbonyl)-1,4-diazepan-5-one
CID 55153408
1-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671529
2-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]propanenitrile
CID 63337420
(2,5-dimethylthiophen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9207325
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174457
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 17191275) is 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1csc2ccccc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NKUFJHMFICMPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c20-14-5-7-15(8-6-14)21-9-11-22(12-10-21)19(23)17-13-24-18-4-2-1-3-16(17)18/h1-8,13H,9-12H2.
What are the key properties of 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17191275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).