[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone

C16H17FN2OS — CID 119403968

IUPAC[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
SMILESCc1sc(C(=O)N2CCNCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11-14(12-2-4-13(17)5-3-12)10-15(21-11)16(20)19-8-6-18-7-9-19/h2-5,10,18H,6-9H2,1H3
InChIKeyLMUOGIPKYBWMTG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.91
Rot. Bonds2

About [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone

[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone (PubChem CID 119403968) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
PubChem CID119403968
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
SMILESCc1sc(C(=O)N2CCNCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11-14(12-2-4-13(17)5-3-12)10-15(21-11)16(20)19-8-6-18-7-9-19/h2-5,10,18H,6-9H2,1H3
InChIKeyLMUOGIPKYBWMTG-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-4-carboxylic acid
CID 119349477
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493991
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877230
4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119444644
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124696499
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124694495
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124690018
N-(2-aminoethyl)-1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482473
2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
CID 154750761
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 31188365

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone (CID 119403968) is [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone is Cc1sc(C(=O)N2CCNCC2)cc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone?
The InChIKey is LMUOGIPKYBWMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-14(12-2-4-13(17)5-3-12)10-15(21-11)16(20)19-8-6-18-7-9-19/h2-5,10,18H,6-9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone?
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119403968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).