N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C21H27N3O2 — CID 3999001

IUPACN-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-17-8-9-20(26-2)19(16-17)22-21(25)10-11-23-12-14-24(15-13-23)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyBZZWXGXDOUDVGZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.15
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 3999001) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID3999001
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-17-8-9-20(26-2)19(16-17)22-21(25)10-11-23-12-14-24(15-13-23)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyBZZWXGXDOUDVGZ-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 3999001) is N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is COc1ccc(C)cc1NC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is BZZWXGXDOUDVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-8-9-20(26-2)19(16-17)22-21(25)10-11-23-12-14-24(15-13-23)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 3999001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).