N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

C22H26FN3O — CID 51168075

IUPACN-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26FN3O/c1-18(22(27)24-21-12-6-5-11-20(21)23)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12,18H,13-17H2,1H3,(H,24,27)/b10-7+
InChIKeyHCNSWAUIFRLCAV-JXMROGBWSA-N
MW367.47 g/mol
LogP3.48
Rot. Bonds6

About N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 51168075) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID51168075
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC NameN-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26FN3O/c1-18(22(27)24-21-12-6-5-11-20(21)23)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12,18H,13-17H2,1H3,(H,24,27)/b10-7+
InChIKeyHCNSWAUIFRLCAV-JXMROGBWSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6466016
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
(2R)-N-(4-acetylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 7831719
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 8621429
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 9459732
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 9459764
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
(2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 98605932
4-[(E)-3-phenylprop-2-enyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 108990279
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 9390358

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 51168075) is N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is HCNSWAUIFRLCAV-JXMROGBWSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-18(22(27)24-21-12-6-5-11-20(21)23)26-16-14-25(15-17-26)13-7-10-19-8-3-2-4-9-19/h2-12,18H,13-17H2,1H3,(H,24,27)/b10-7+.
What are the key properties of N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 367.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 51168075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).