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

C20H23N3O3 — CID 1149630

IUPACN-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O3/c24-20(21-16-6-7-18-19(14-16)26-15-25-18)8-9-22-10-12-23(13-11-22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,21,24)
InChIKeyIGXPMZOLMUTNGH-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.57
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 1149630) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID1149630
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O3/c24-20(21-16-6-7-18-19(14-16)26-15-25-18)8-9-22-10-12-23(13-11-22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,21,24)
InChIKeyIGXPMZOLMUTNGH-UHFFFAOYSA-N
XLogP2.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 1149630) is N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is IGXPMZOLMUTNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(21-16-6-7-18-19(14-16)26-15-25-18)8-9-22-10-12-23(13-11-22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 353.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 1149630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).