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

C21H26FN3O — CID 40792883

IUPAC(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H26FN3O/c1-16(18-6-4-3-5-7-18)23-21(26)17(2)24-12-14-25(15-13-24)20-10-8-19(22)9-11-20/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)/t16-,17-/m0/s1
InChIKeyUIBDHPPCNPPQPQ-IRXDYDNUSA-N
MW355.46 g/mol
LogP3.21
Rot. Bonds5

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

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 40792883) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID40792883
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H26FN3O/c1-16(18-6-4-3-5-7-18)23-21(26)17(2)24-12-14-25(15-13-24)20-10-8-19(22)9-11-20/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)/t16-,17-/m0/s1
InChIKeyUIBDHPPCNPPQPQ-IRXDYDNUSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid
CID 154743598
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 134038219
N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038231
(2R)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-3-phenylpropanoic acid
CID 119367437
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide (CID 40792883) is (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is UIBDHPPCNPPQPQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16(18-6-4-3-5-7-18)23-21(26)17(2)24-12-14-25(15-13-24)20-10-8-19(22)9-11-20/h3-11,16-17H,12-15H2,1-2H3,(H,23,26)/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide?
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 40792883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).