4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one

C13H17FN2O — CID 166827609

IUPAC4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCCN1CCN(Cc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C13H17FN2O/c1-2-15-7-8-16(13(17)10-15)9-11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyZVQPTPWPNJPVIP-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.49
Rot. Bonds3

About 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one

4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 166827609) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID166827609
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCCN1CCN(Cc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C13H17FN2O/c1-2-15-7-8-16(13(17)10-15)9-11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyZVQPTPWPNJPVIP-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 144662384
2-[(4-ethyl-2-oxopiperazin-1-yl)methyl]-4-fluorobenzenesulfonyl chloride
CID 86713352
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
2-[(4-ethyl-2-oxopiperazin-1-yl)methyl]-4-fluorobenzenesulfonamide
CID 141356624
1-[(3,5-difluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one
CID 24733239
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64883955
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one
CID 26334076
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 25382288

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one (CID 166827609) is 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one is CCN1CCN(Cc2ccc(F)cc2)C(=O)C1.
What is the InChIKey of 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is ZVQPTPWPNJPVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-15-7-8-16(13(17)10-15)9-11-3-5-12(14)6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one?
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 166827609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).