N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride

C22H26ClF2N3O — CID 91962017

IUPACN-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
SMILESCl.O=C(CCN1CCN(CC=Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H25F2N3O.ClH/c23-20-9-8-19(17-21(20)24)25-22(28)10-12-27-15-13-26(14-16-27)11-4-7-18-5-2-1-3-6-18;/h1-9,17H,10-16H2,(H,25,28);1H
InChIKeyFWGWFRDELYWFQK-UHFFFAOYSA-N
MW421.92 g/mol
LogP4.05
Rot. Bonds7

About N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride

N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride (PubChem CID 91962017) has the molecular formula C22H26ClF2N3O and a molecular weight of 421.92 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
PubChem CID91962017
Molecular FormulaC22H26ClF2N3O
Molecular Weight421.92 g/mol
Exact Mass421.17
IUPAC NameN-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
SMILESCl.O=C(CCN1CCN(CC=Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H25F2N3O.ClH/c23-20-9-8-19(17-21(20)24)25-22(28)10-12-27-15-13-26(14-16-27)11-4-7-18-5-2-1-3-6-18;/h1-9,17H,10-16H2,(H,25,28);1H
InChIKeyFWGWFRDELYWFQK-UHFFFAOYSA-N
XLogP4.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.92
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030023
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030036
3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30739246
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide
CID 1413521
N-(2,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-1-yl]propanamide
CID 177374603

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride (CID 91962017) is N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride is Cl.O=C(CCN1CCN(CC=Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride?
The InChIKey is FWGWFRDELYWFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O.ClH/c23-20-9-8-19(17-21(20)24)25-22(28)10-12-27-15-13-26(14-16-27)11-4-7-18-5-2-1-3-6-18;/h1-9,17H,10-16H2,(H,25,28);1H.
What are the key properties of N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride?
N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride has a molecular weight of 421.92 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 91962017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).