2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide

C26H30N4O5 — CID 55372657

IUPAC2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1
InChIInChI=1S/C26H30N4O5/c1-3-10-27-23(31)17-28-11-13-29(14-12-28)24(32)21-15-18(8-9-22(21)35-2)16-30-25(33)19-6-4-5-7-20(19)26(30)34/h4-9,15H,3,10-14,16-17H2,1-2H3,(H,27,31)
InChIKeyPYNJBOKPOCJPJI-UHFFFAOYSA-N
MW478.55 g/mol
LogP1.78
Rot. Bonds8

About 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide

2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55372657) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55372657
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1
InChIInChI=1S/C26H30N4O5/c1-3-10-27-23(31)17-28-11-13-29(14-12-28)24(32)21-15-18(8-9-22(21)35-2)16-30-25(33)19-6-4-5-7-20(19)26(30)34/h4-9,15H,3,10-14,16-17H2,1-2H3,(H,27,31)
InChIKeyPYNJBOKPOCJPJI-UHFFFAOYSA-N
XLogP1.78
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
CID 55911936
2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 55584263
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974724
N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18163262
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46616223
2-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 27660661
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55672408
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
[2-(3-methylbutylamino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 2667813
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide (CID 55372657) is 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1.
What is the InChIKey of 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is PYNJBOKPOCJPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-3-10-27-23(31)17-28-11-13-29(14-12-28)24(32)21-15-18(8-9-22(21)35-2)16-30-25(33)19-6-4-5-7-20(19)26(30)34/h4-9,15H,3,10-14,16-17H2,1-2H3,(H,27,31).
What are the key properties of 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 478.55 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55372657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).