2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one

C19H27N3O3 — CID 5308391

IUPAC2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one
SMILESCCCN1CCN(C(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1
InChIInChI=1S/C19H27N3O3/c1-3-7-20-8-10-21(11-9-20)18(23)16-6-4-5-15-14-22(12-13-25-2)19(24)17(15)16/h4-6H,3,7-14H2,1-2H3
InChIKeyAEONYYYVUMADME-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.46
Rot. Bonds6

About 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one

2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one (PubChem CID 5308391) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one
PubChem CID5308391
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one
SMILESCCCN1CCN(C(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1
InChIInChI=1S/C19H27N3O3/c1-3-7-20-8-10-21(11-9-20)18(23)16-6-4-5-15-14-22(12-13-25-2)19(24)17(15)16/h4-6H,3,7-14H2,1-2H3
InChIKeyAEONYYYVUMADME-UHFFFAOYSA-N
XLogP1.46
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one?
The IUPAC name of 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one (CID 5308391) is 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one is CCCN1CCN(C(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1.
What is the InChIKey of 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one?
The InChIKey is AEONYYYVUMADME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-7-20-8-10-21(11-9-20)18(23)16-6-4-5-15-14-22(12-13-25-2)19(24)17(15)16/h4-6H,3,7-14H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one?
2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one has a molecular weight of 345.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-(4-propylpiperazine-1-carbonyl)-3H-isoindol-1-one is sourced from PubChem (CID 5308391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).