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

C25H32FN3O2 — CID 55565482

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCCc1ccc(F)cc1)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C25H32FN3O2/c1-19(23(30)27-14-13-20-9-11-22(26)12-10-20)28-15-17-29(18-16-28)24(31)25(2,3)21-7-5-4-6-8-21/h4-12,19H,13-18H2,1-3H3,(H,27,30)
InChIKeyTUKWKQXIHYCCKR-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.99
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 55565482) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
PubChem CID55565482
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCCc1ccc(F)cc1)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C25H32FN3O2/c1-19(23(30)27-14-13-20-9-11-22(26)12-10-20)28-15-17-29(18-16-28)24(31)25(2,3)21-7-5-4-6-8-21/h4-12,19H,13-18H2,1-3H3,(H,27,30)
InChIKeyTUKWKQXIHYCCKR-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 42949633
2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46571611
2-(4-benzoylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55504232
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 51629091
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342273
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342275
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565579
2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55841512
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide
CID 92762958
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide (CID 55565482) is N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide is CC(C(=O)NCCc1ccc(F)cc1)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is TUKWKQXIHYCCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-19(23(30)27-14-13-20-9-11-22(26)12-10-20)28-15-17-29(18-16-28)24(31)25(2,3)21-7-5-4-6-8-21/h4-12,19H,13-18H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 425.55 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55565482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).