3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide

C19H22FN3O — CID 102089995

IUPAC3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide
SMILESO=C(CC(c1ccc(F)cc1)N1CCNCC1)Nc1ccccc1
InChIInChI=1S/C19H22FN3O/c20-16-8-6-15(7-9-16)18(23-12-10-21-11-13-23)14-19(24)22-17-4-2-1-3-5-17/h1-9,18,21H,10-14H2,(H,22,24)
InChIKeyRROYNXBFRKCHIK-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.80
Rot. Bonds5

About 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide

3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide (PubChem CID 102089995) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide
PubChem CID102089995
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide
SMILESO=C(CC(c1ccc(F)cc1)N1CCNCC1)Nc1ccccc1
InChIInChI=1S/C19H22FN3O/c20-16-8-6-15(7-9-16)18(23-12-10-21-11-13-23)14-19(24)22-17-4-2-1-3-5-17/h1-9,18,21H,10-14H2,(H,22,24)
InChIKeyRROYNXBFRKCHIK-UHFFFAOYSA-N
XLogP2.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine
CID 171273254
1-[(1R)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285883
3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide
CID 82134145
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
CID 171183073
N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 169109522
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride
CID 171303739
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide (CID 102089995) is 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide is O=C(CC(c1ccc(F)cc1)N1CCNCC1)Nc1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide?
The InChIKey is RROYNXBFRKCHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-16-8-6-15(7-9-16)18(23-12-10-21-11-13-23)14-19(24)22-17-4-2-1-3-5-17/h1-9,18,21H,10-14H2,(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide?
3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide has a molecular weight of 327.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-phenyl-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 102089995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).