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

C16H15FN2O2S — CID 93292395

IUPAC(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccccc2F)CCN1C(=O)c1cccs1
InChIInChI=1S/C16H15FN2O2S/c1-11-15(20)19(13-6-3-2-5-12(13)17)9-8-18(11)16(21)14-7-4-10-22-14/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1
InChIKeyZLRAYLYYLKNECW-LLVKDONJSA-N
MW318.37 g/mol
LogP2.76
Rot. Bonds2

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

(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 93292395) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID93292395
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccccc2F)CCN1C(=O)c1cccs1
InChIInChI=1S/C16H15FN2O2S/c1-11-15(20)19(13-6-3-2-5-12(13)17)9-8-18(11)16(21)14-7-4-10-22-14/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1
InChIKeyZLRAYLYYLKNECW-LLVKDONJSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(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
(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292450
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292435
(3S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93321596
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86941087

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 93292395) is (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is C[C@@H]1C(=O)N(c2ccccc2F)CCN1C(=O)c1cccs1.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is ZLRAYLYYLKNECW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-11-15(20)19(13-6-3-2-5-12(13)17)9-8-18(11)16(21)14-7-4-10-22-14/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 318.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 93292395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).