3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide

C22H29N3O — CID 109029653

IUPAC3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
SMILESCc1cccc(N2CCN(CCC(=O)N(C)c3ccccc3)CC2)c1C
InChIInChI=1S/C22H29N3O/c1-18-8-7-11-21(19(18)2)25-16-14-24(15-17-25)13-12-22(26)23(3)20-9-5-4-6-10-20/h4-11H,12-17H2,1-3H3
InChIKeyLFWIWDJYBPHDND-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.48
Rot. Bonds5

About 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide (PubChem CID 109029653) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
PubChem CID109029653
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
SMILESCc1cccc(N2CCN(CCC(=O)N(C)c3ccccc3)CC2)c1C
InChIInChI=1S/C22H29N3O/c1-18-8-7-11-21(19(18)2)25-16-14-24(15-17-25)13-12-22(26)23(3)20-9-5-4-6-10-20/h4-11H,12-17H2,1-3H3
InChIKeyLFWIWDJYBPHDND-UHFFFAOYSA-N
XLogP3.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108521011
N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,2,2-trimethyl-3-oxo-N-phenylpropanamide
CID 108965462
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
N-methyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014553
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 34207696
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide (CID 109029653) is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide is Cc1cccc(N2CCN(CCC(=O)N(C)c3ccccc3)CC2)c1C.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide?
The InChIKey is LFWIWDJYBPHDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-8-7-11-21(19(18)2)25-16-14-24(15-17-25)13-12-22(26)23(3)20-9-5-4-6-10-20/h4-11H,12-17H2,1-3H3.
What are the key properties of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide?
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 109029653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).