2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione

C26H29N3O4 — CID 55584263

IUPAC2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C26H29N3O4/c1-33-23-11-10-18(17-29-25(31)20-8-4-5-9-21(20)26(29)32)16-22(23)24(30)28-14-12-27(13-15-28)19-6-2-3-7-19/h4-5,8-11,16,19H,2-3,6-7,12-15,17H2,1H3
InChIKeyFMAOXGOKVASROT-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.19
Rot. Bonds5

About 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione

2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione (PubChem CID 55584263) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
PubChem CID55584263
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C26H29N3O4/c1-33-23-11-10-18(17-29-25(31)20-8-4-5-9-21(20)26(29)32)16-22(23)24(30)28-14-12-27(13-15-28)19-6-2-3-7-19/h4-5,8-11,16,19H,2-3,6-7,12-15,17H2,1H3
InChIKeyFMAOXGOKVASROT-UHFFFAOYSA-N
XLogP3.19
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 27660661
2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
CID 55911936
2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide
CID 55372657
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46616223
N-cyclopentyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
CID 51268360
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974724
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55672408
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 42903801
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670604

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione (CID 55584263) is 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione?
The InChIKey is FMAOXGOKVASROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-33-23-11-10-18(17-29-25(31)20-8-4-5-9-21(20)26(29)32)16-22(23)24(30)28-14-12-27(13-15-28)19-6-2-3-7-19/h4-5,8-11,16,19H,2-3,6-7,12-15,17H2,1H3.
What are the key properties of 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione?
2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione has a molecular weight of 447.54 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 55584263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).