N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride

C24H32ClN3O — CID 5389665

IUPACN-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
SMILESCc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1C.[Cl-].[H+]
InChIInChI=1S/C24H31N3O.ClH/c1-20-10-11-23(19-21(20)2)25-24(28)12-14-27-17-15-26(16-18-27)13-6-9-22-7-4-3-5-8-22;/h3-11,19H,12-18H2,1-2H3,(H,25,28);1H/b9-6+;
InChIKeySCVAJSDQWFUKTH-MLBSPLJJSA-N
MW413.99 g/mol
LogP1.08
Rot. Bonds7

About N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride

N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride (PubChem CID 5389665) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
PubChem CID5389665
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC NameN-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
SMILESCc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1C.[Cl-].[H+]
InChIInChI=1S/C24H31N3O.ClH/c1-20-10-11-23(19-21(20)2)25-24(28)12-14-27-17-15-26(16-18-27)13-6-9-22-7-4-3-5-8-22;/h3-11,19H,12-18H2,1-2H3,(H,25,28);1H/b9-6+;
InChIKeySCVAJSDQWFUKTH-MLBSPLJJSA-N
XLogP1.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride 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-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide
CID 1413521
N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
CID 91962017
N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030036
N-(2,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-1-yl]propanamide
CID 177374603
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030023
N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide
CID 118610816
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 109023804
N-(4-methylphenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]propanamide chloride
CID 71965160

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride (CID 5389665) is N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride is Cc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1C.[Cl-].[H+].
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride?
The InChIKey is SCVAJSDQWFUKTH-MLBSPLJJSA-N. The full InChI is InChI=1S/C24H31N3O.ClH/c1-20-10-11-23(19-21(20)2)25-24(28)12-14-27-17-15-26(16-18-27)13-6-9-22-7-4-3-5-8-22;/h3-11,19H,12-18H2,1-2H3,(H,25,28);1H/b9-6+;.
What are the key properties of N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride?
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride has a molecular weight of 413.99 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride is sourced from PubChem (CID 5389665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).