[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C17H19FN2OS — CID 17249971

IUPAC[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)s1
InChIInChI=1S/C17H19FN2OS/c1-13-5-6-16(22-13)17(21)20-9-7-19(8-10-20)12-14-3-2-4-15(18)11-14/h2-6,11H,7-10,12H2,1H3
InChIKeyQDKHJAJXGPMOMI-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.15
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 17249971) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID17249971
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)s1
InChIInChI=1S/C17H19FN2OS/c1-13-5-6-16(22-13)17(21)20-9-7-19(8-10-20)12-14-3-2-4-15(18)11-14/h2-6,11H,7-10,12H2,1H3
InChIKeyQDKHJAJXGPMOMI-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene derivative, 3c
CID 25023797
1-(5-{[Benzyl(methyl)amino]methyl}thiophen-2-yl)-2,2,2-trifluoroethan-1-one
CID 25023811
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 17249971) is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)s1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is QDKHJAJXGPMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-13-5-6-16(22-13)17(21)20-9-7-19(8-10-20)12-14-3-2-4-15(18)11-14/h2-6,11H,7-10,12H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 3.15, 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]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 17249971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).