1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

C16H14ClFN2O2S — CID 24718910

IUPAC1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)c1cccs1
InChIInChI=1S/C16H14ClFN2O2S/c1-10-15(21)20(11-4-5-13(18)12(17)9-11)7-6-19(10)16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3
InChIKeyWSYISUCGJCAVOS-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.42
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 24718910) has the molecular formula C16H14ClFN2O2S and a molecular weight of 352.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID24718910
Molecular FormulaC16H14ClFN2O2S
Molecular Weight352.82 g/mol
Exact Mass352.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)c1cccs1
InChIInChI=1S/C16H14ClFN2O2S/c1-10-15(21)20(11-4-5-13(18)12(17)9-11)7-6-19(10)16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3
InChIKeyWSYISUCGJCAVOS-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42628060
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-4-fluoro-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-YL)-phenylcarbamoyl]-methyl}-pyrrolidin-3-YL)-amide
CID 42628063
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
[4-(3-Chlorophenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 2443218
AJ-292/14128010
CID 669834
1-(4-Chlorophenyl)-4-[(4,5-dimethyl-3-thienyl)carbonyl]piperazine
CID 1247359
1-(5-Chlorothiophen-2-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]butane-1,4-dione
CID 4787588
5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 45270763
(5-Chlorothiophen-2-yl)(4-phenylpiperazin-1-yl)methanone
CID 1245506
N-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 2438704

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 24718910) is 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is CC1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)c1cccs1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is WSYISUCGJCAVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2S/c1-10-15(21)20(11-4-5-13(18)12(17)9-11)7-6-19(10)16(22)14-3-2-8-23-14/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 352.82 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 24718910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).