5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione

C22H23N3O4 — CID 119379822

IUPAC5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCCC(N)C4)cc3C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-2-29-17-8-6-16(7-9-17)25-21(27)18-10-5-14(12-19(18)22(25)28)20(26)24-11-3-4-15(23)13-24/h5-10,12,15H,2-4,11,13,23H2,1H3
InChIKeyGTEUCXGCWRCUCU-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.45
Rot. Bonds4

About 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione

5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione (PubChem CID 119379822) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione
PubChem CID119379822
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCCC(N)C4)cc3C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-2-29-17-8-6-16(7-9-17)25-21(27)18-10-5-14(12-19(18)22(25)28)20(26)24-11-3-4-15(23)13-24/h5-10,12,15H,2-4,11,13,23H2,1H3
InChIKeyGTEUCXGCWRCUCU-UHFFFAOYSA-N
XLogP2.45
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 867582
2-(4-ethoxyphenyl)-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 55345651
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione
CID 27659554
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119412569
5-(3-aminopiperidine-1-carbonyl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 119378309
1-(3-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 119381396
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
5-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 24586303
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 55401176
(3-aminopiperidin-1-yl)-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119379632

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione (CID 119379822) is 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione is CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCCC(N)C4)cc3C2=O)cc1.
What is the InChIKey of 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione?
The InChIKey is GTEUCXGCWRCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-29-17-8-6-16(7-9-17)25-21(27)18-10-5-14(12-19(18)22(25)28)20(26)24-11-3-4-15(23)13-24/h5-10,12,15H,2-4,11,13,23H2,1H3.
What are the key properties of 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione?
5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione has a molecular weight of 393.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 119379822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).