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

C12H13FN2O2 — CID 121419784

IUPAC4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
SMILESCc1c(F)cccc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H13FN2O2/c1-8-9(3-2-4-10(8)13)12(17)15-6-5-14-11(16)7-15/h2-4H,5-7H2,1H3,(H,14,16)
InChIKeyBSDVRSQKURVONB-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.71
Rot. Bonds1

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

4-(3-fluoro-2-methylbenzoyl)piperazin-2-one (PubChem CID 121419784) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
PubChem CID121419784
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
SMILESCc1c(F)cccc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H13FN2O2/c1-8-9(3-2-4-10(8)13)12(17)15-6-5-14-11(16)7-15/h2-4H,5-7H2,1H3,(H,14,16)
InChIKeyBSDVRSQKURVONB-UHFFFAOYSA-N
XLogP0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methyl-2-nitrobenzoyl)piperazin-2-one
CID 31094939
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
4-(2-bromopyridine-3-carbonyl)piperazin-2-one
CID 103753853
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
CID 31097080
(2-fluorophenyl)-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)methanone
CID 122176045
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]piperazin-2-one
CID 105384621
2,3-dimethyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
CID 175155114

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one?
The IUPAC name of 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one (CID 121419784) is 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one is Cc1c(F)cccc1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one?
The InChIKey is BSDVRSQKURVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-8-9(3-2-4-10(8)13)12(17)15-6-5-14-11(16)7-15/h2-4H,5-7H2,1H3,(H,14,16).
What are the key properties of 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one?
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one has a molecular weight of 236.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 121419784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).