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

C27H29N3O2 — CID 10693778

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one
SMILESCOc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2c2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c1-32-25-14-8-7-13-24(25)29-18-15-28(16-19-29)17-20-30-26(21-9-3-2-4-10-21)22-11-5-6-12-23(22)27(30)31/h2-14,26H,15-20H2,1H3
InChIKeyFKOSGXMANSILLW-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.06
Rot. Bonds6

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

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one (PubChem CID 10693778) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one
PubChem CID10693778
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one
SMILESCOc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2c2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c1-32-25-14-8-7-13-24(25)29-18-15-28(16-19-29)17-20-30-26(21-9-3-2-4-10-21)22-11-5-6-12-23(22)27(30)31/h2-14,26H,15-20H2,1H3
InChIKeyFKOSGXMANSILLW-UHFFFAOYSA-N
XLogP4.06
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fluanisone
CID 15139
AR-C-239
CID 609483
2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
BP-897
CID 3038494
GR-103691
CID 4302960
Nan 190
CID 4431
Mazapertine
CID 60820
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
1-(4-(4-Phenyl-1-piperazinyl)butyl)indolin-2-one
CID 10667433

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one (CID 10693778) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one is COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2c2ccccc2)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one?
The InChIKey is FKOSGXMANSILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-32-25-14-8-7-13-24(25)29-18-15-28(16-19-29)17-20-30-26(21-9-3-2-4-10-21)22-11-5-6-12-23(22)27(30)31/h2-14,26H,15-20H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one has a molecular weight of 427.55 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-3H-isoindol-1-one is sourced from PubChem (CID 10693778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).