2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide

C22H29N3O — CID 55694971

IUPAC2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-17-9-10-21(18(2)15-17)22(26)23-16-19(3)24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyQBJQGUSDNNOYKR-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.24
Rot. Bonds5

About 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide

2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 55694971) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID55694971
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-17-9-10-21(18(2)15-17)22(26)23-16-19(3)24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyQBJQGUSDNNOYKR-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide 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

2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694970
1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 86989887
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
1-oxido-N-[2-(4-phenylpiperazin-1-yl)propyl]pyridin-1-ium-2-carboxamide
CID 60511961
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
4-bromo-N-[2-(4-phenylpiperazin-1-yl)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564755
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 60553708

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 55694971) is 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide is Cc1ccc(C(=O)NCC(C)N2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is QBJQGUSDNNOYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-9-10-21(18(2)15-17)22(26)23-16-19(3)24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide?
2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 55694971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).