N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C15H22FN3O — CID 78698233

IUPACN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCCNC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-17-15(20)12(2)18-8-10-19(11-9-18)14-6-4-13(16)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyRLPDTHRHYAKCSS-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.47
Rot. Bonds4

About N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 78698233) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID78698233
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCCNC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-17-15(20)12(2)18-8-10-19(11-9-18)14-6-4-13(16)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyRLPDTHRHYAKCSS-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448078
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
(2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]hexanoic acid
CID 120615005
(2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8688391
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038231
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
(2R)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-3-phenylpropanoic acid
CID 119367437
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 78698233) is N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CCNC(=O)C(C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is RLPDTHRHYAKCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-17-15(20)12(2)18-8-10-19(11-9-18)14-6-4-13(16)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 279.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 78698233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).