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

C24H32ClN3O — CID 6603664

IUPACN-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1C.Cl
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
LogP4.38
Rot. Bonds7

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

N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride (PubChem CID 6603664) 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;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride
PubChem CID6603664
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;hydrochloride
SMILESCc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1C.Cl
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
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride (CID 6603664) is N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride is Cc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1C.Cl.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride?
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;hydrochloride?
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydrochloride has a molecular weight of 413.99 g/mol, XLogP of 4.38, 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;hydrochloride is sourced from PubChem (CID 6603664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).