(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one

C19H19FN2O2 — CID 29182015

IUPAC(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)c(F)c1
InChIInChI=1S/C19H19FN2O2/c1-13-7-8-15(16(20)11-13)19(24)22-10-9-21-18(23)17(22)12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyIULFGHNEXHAZHB-QGZVFWFLSA-N
MW326.37 g/mol
LogP2.32
Rot. Bonds3

About (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one

(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one (PubChem CID 29182015) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
PubChem CID29182015
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)c(F)c1
InChIInChI=1S/C19H19FN2O2/c1-13-7-8-15(16(20)11-13)19(24)22-10-9-21-18(23)17(22)12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyIULFGHNEXHAZHB-QGZVFWFLSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
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2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
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(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
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3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one?
The IUPAC name of (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one (CID 29182015) is (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one?
The canonical SMILES for (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one is Cc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)c(F)c1.
What is the InChIKey of (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one?
The InChIKey is IULFGHNEXHAZHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-7-8-15(16(20)11-13)19(24)22-10-9-21-18(23)17(22)12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one?
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one has a molecular weight of 326.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 29182015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).