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

C23H29ClN3O- — CID 53312696

IUPACN-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
SMILESCc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1.[Cl-]
InChIInChI=1S/C23H29N3O.ClH/c1-20-9-11-22(12-10-20)24-23(27)13-15-26-18-16-25(17-19-26)14-5-8-21-6-3-2-4-7-21;/h2-12H,13-19H2,1H3,(H,24,27);1H/p-1/b8-5+;
InChIKeyYWSHDSKFDKBTHI-HAAWTFQLSA-M
MW398.96 g/mol
LogP0.66
Rot. Bonds7

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

N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride (PubChem CID 53312696) has the molecular formula C23H29ClN3O- and a molecular weight of 398.96 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
PubChem CID53312696
Molecular FormulaC23H29ClN3O-
Molecular Weight398.96 g/mol
Exact Mass398.20
IUPAC NameN-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
SMILESCc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1.[Cl-]
InChIInChI=1S/C23H29N3O.ClH/c1-20-9-11-22(12-10-20)24-23(27)13-15-26-18-16-25(17-19-26)14-5-8-21-6-3-2-4-7-21;/h2-12H,13-19H2,1H3,(H,24,27);1H/p-1/b8-5+;
InChIKeyYWSHDSKFDKBTHI-HAAWTFQLSA-M
XLogP0.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]propanamide chloride
CID 71965160
N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
CID 91962017
N-(2,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-1-yl]propanamide
CID 177374603
N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030036
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544277
N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030023
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
CID 112984571
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-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride?
The IUPAC name of N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride (CID 53312696) is N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride.
What is the SMILES notation for N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride?
The canonical SMILES for N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride is Cc1ccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cc1.[Cl-].
What is the InChIKey of N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride?
The InChIKey is YWSHDSKFDKBTHI-HAAWTFQLSA-M. The full InChI is InChI=1S/C23H29N3O.ClH/c1-20-9-11-22(12-10-20)24-23(27)13-15-26-18-16-25(17-19-26)14-5-8-21-6-3-2-4-7-21;/h2-12H,13-19H2,1H3,(H,24,27);1H/p-1/b8-5+;.
What are the key properties of N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride?
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride has a molecular weight of 398.96 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride is sourced from PubChem (CID 53312696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).