2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one

C26H28N4O2 — CID 10574562

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one
SMILESCOc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2c2ccccn2)CC1
InChIInChI=1S/C26H28N4O2/c1-32-24-12-5-4-11-23(24)29-17-14-28(15-18-29)16-19-30-25(22-10-6-7-13-27-22)20-8-2-3-9-21(20)26(30)31/h2-13,25H,14-19H2,1H3
InChIKeyANWIIPBIJAWMDI-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.46
Rot. Bonds6

About 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one (PubChem CID 10574562) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one
PubChem CID10574562
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one
SMILESCOc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2c2ccccn2)CC1
InChIInChI=1S/C26H28N4O2/c1-32-24-12-5-4-11-23(24)29-17-14-28(15-18-29)16-19-30-25(22-10-6-7-13-27-22)20-8-2-3-9-21(20)26(30)31/h2-13,25H,14-19H2,1H3
InChIKeyANWIIPBIJAWMDI-UHFFFAOYSA-N
XLogP3.46
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

GR-125743
CID 5311130
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 11732785
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-6H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 44431192
2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2H-pyrrolo[3,4-c]pyridine-1,3-dione
CID 44431194
6-(2-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 699158
[3H]GR 125,743
CID 53321959
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 10895039
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
4-(6-(18F)fluoro-2-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105553
4-(6-(18F)fluoro-3-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105555

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one (CID 10574562) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one is COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2c2ccccn2)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one?
The InChIKey is ANWIIPBIJAWMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-32-24-12-5-4-11-23(24)29-17-14-28(15-18-29)16-19-30-25(22-10-6-7-13-27-22)20-8-2-3-9-21(20)26(30)31/h2-13,25H,14-19H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one has a molecular weight of 428.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-pyridin-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 10574562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).