(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

C17H17FN2O2S — CID 93292476

IUPAC(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCc1ccc(F)c(N2CCN(C(=O)c3cccs3)[C@@H](C)C2=O)c1
InChIInChI=1S/C17H17FN2O2S/c1-11-5-6-13(18)14(10-11)20-8-7-19(12(2)16(20)21)17(22)15-4-3-9-23-15/h3-6,9-10,12H,7-8H2,1-2H3/t12-/m0/s1
InChIKeySOTORDIURVRPMB-LBPRGKRZSA-N
MW332.40 g/mol
LogP3.07
Rot. Bonds2

About (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 93292476) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID93292476
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCc1ccc(F)c(N2CCN(C(=O)c3cccs3)[C@@H](C)C2=O)c1
InChIInChI=1S/C17H17FN2O2S/c1-11-5-6-13(18)14(10-11)20-8-7-19(12(2)16(20)21)17(22)15-4-3-9-23-15/h3-6,9-10,12H,7-8H2,1-2H3/t12-/m0/s1
InChIKeySOTORDIURVRPMB-LBPRGKRZSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395
4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24715869
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 93321433
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676
1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 24716617
4-(2-fluoro-5-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847448
1-(2-fluoro-5-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036097
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292450

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 93292476) is (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is Cc1ccc(F)c(N2CCN(C(=O)c3cccs3)[C@@H](C)C2=O)c1.
What is the InChIKey of (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is SOTORDIURVRPMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-11-5-6-13(18)14(10-11)20-8-7-19(12(2)16(20)21)17(22)15-4-3-9-23-15/h3-6,9-10,12H,7-8H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 332.40 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 93292476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).