N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide

C13H18FN3O — CID 43089583

IUPACN-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H18FN3O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18)
InChIKeyPMMDCNBEOZDZMJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.06
Rot. Bonds3

About N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide

N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide (PubChem CID 43089583) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
PubChem CID43089583
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)N1CCNCC1
InChIInChI=1S/C13H18FN3O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18)
InChIKeyPMMDCNBEOZDZMJ-UHFFFAOYSA-N
XLogP1.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
CID 43130677
N-[4-(2-hydroxyethyl)phenyl]-2-piperazin-1-ylpropanamide
CID 61237892
2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82795400
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide
CID 82820113
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide (CID 43089583) is N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide is CC(C(=O)Nc1ccc(F)cc1)N1CCNCC1.
What is the InChIKey of N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is PMMDCNBEOZDZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide?
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 251.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43089583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).