N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C21H27N3O3 — CID 651777

IUPACN-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-8-9-20(27-2)19(16-18)22-21(25)10-11-23-12-14-24(15-13-23)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyRXUYAGWIRXJDRE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.85
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 651777) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID651777
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-8-9-20(27-2)19(16-18)22-21(25)10-11-23-12-14-24(15-13-23)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyRXUYAGWIRXJDRE-UHFFFAOYSA-N
XLogP2.85
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 651777) is N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is COc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is RXUYAGWIRXJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-8-9-20(27-2)19(16-18)22-21(25)10-11-23-12-14-24(15-13-23)17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 651777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).