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

C22H29N3O3 — CID 2901762

IUPAC3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O3/c1-27-19-8-9-20(21(16-19)28-2)23-22(26)10-11-24-12-14-25(15-13-24)17-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyYCALHNIHGSUWEB-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.85
Rot. Bonds8

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

3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 2901762) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID2901762
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O3/c1-27-19-8-9-20(21(16-19)28-2)23-22(26)10-11-24-12-14-25(15-13-24)17-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyYCALHNIHGSUWEB-UHFFFAOYSA-N
XLogP2.85
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide (CID 2901762) is 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is YCALHNIHGSUWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-19-8-9-20(21(16-19)28-2)23-22(26)10-11-24-12-14-25(15-13-24)17-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide?
3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 383.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2901762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).