N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide

C15H22FN3O — CID 43566424

IUPACN-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCCc1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C15H22FN3O/c1-12(19-9-7-17-8-10-19)15(20)18-6-5-13-3-2-4-14(16)11-13/h2-4,11-12,17H,5-10H2,1H3,(H,18,20)
InChIKeyYBUIXLQTVKJPJM-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.78
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide

N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 43566424) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
PubChem CID43566424
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NCCc1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C15H22FN3O/c1-12(19-9-7-17-8-10-19)15(20)18-6-5-13-3-2-4-14(16)11-13/h2-4,11-12,17H,5-10H2,1H3,(H,18,20)
InChIKeyYBUIXLQTVKJPJM-UHFFFAOYSA-N
XLogP0.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55841512
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255765
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
2-(1,4-diazepan-1-yl)-N-[2-(3-fluorophenyl)ethyl]-2-oxoacetamide
CID 43566464
(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 31737906
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide (CID 43566424) is N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide is CC(C(=O)NCCc1cccc(F)c1)N1CCNCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is YBUIXLQTVKJPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12(19-9-7-17-8-10-19)15(20)18-6-5-13-3-2-4-14(16)11-13/h2-4,11-12,17H,5-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide?
N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 279.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43566424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).