4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide

C18H24N4O3 — CID 86912387

IUPAC4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-2-19-18(25)21-12-10-20(11-13-21)8-5-9-22-16(23)14-6-3-4-7-15(14)17(22)24/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,25)
InChIKeyZOKVMNDTAPTFPH-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.02
Rot. Bonds5

About 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide

4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 86912387) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide
PubChem CID86912387
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-2-19-18(25)21-12-10-20(11-13-21)8-5-9-22-16(23)14-6-3-4-7-15(14)17(22)24/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,25)
InChIKeyZOKVMNDTAPTFPH-UHFFFAOYSA-N
XLogP1.02
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione;1-[4-(3-aminopropyl)piperazin-1-yl]ethanone
CID 162054424
4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
CID 157300457
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
N-butan-2-yl-2-[4-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 55563654

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide (CID 86912387) is 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is ZOKVMNDTAPTFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-19-18(25)21-12-10-20(11-13-21)8-5-9-22-16(23)14-6-3-4-7-15(14)17(22)24/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,25).
What are the key properties of 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide?
4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 86912387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).