[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C16H17FN2OS — CID 828777

IUPAC[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H17FN2OS/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyFOSUKGSUFJMREI-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.85
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 828777) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID828777
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H17FN2OS/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyFOSUKGSUFJMREI-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)-1,4-diazepan-5-one
CID 26342463
N-[3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 51999302
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8710296
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 90484147
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709212
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19503403
[4-[(4-ethylphenoxy)methyl]thiophen-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19471516
1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081877
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70730781

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 828777) is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is FOSUKGSUFJMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 828777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).