3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione

C19H29N3O4 — CID 167099879

IUPAC3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)CC(NC3CCCCCCCCC3)C2=O)C(=O)N1
InChIInChI=1S/C19H29N3O4/c23-16-11-10-15(18(25)21-16)22-17(24)12-14(19(22)26)20-13-8-6-4-2-1-3-5-7-9-13/h13-15,20H,1-12H2,(H,21,23,25)
InChIKeyZZJDJZIQSHOYIJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.40
Rot. Bonds3

About 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione

3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 167099879) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID167099879
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)CC(NC3CCCCCCCCC3)C2=O)C(=O)N1
InChIInChI=1S/C19H29N3O4/c23-16-11-10-15(18(25)21-16)22-17(24)12-14(19(22)26)20-13-8-6-4-2-1-3-5-7-9-13/h13-15,20H,1-12H2,(H,21,23,25)
InChIKeyZZJDJZIQSHOYIJ-UHFFFAOYSA-N
XLogP1.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 12550568
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
2-(2,7-dioxoazepan-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 140733089
3-(cyclobutylamino)pyrrolidine-2,5-dione
CID 62416523
3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636059
4-(cyclohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146870687
(1R,2R,6S,7S)-4-[(3R)-2,6-dioxopiperidin-3-yl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 76958691
1-cyclohexyl-3-[(2-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
CID 62093415
3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione (CID 167099879) is 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione is O=C1CCC(N2C(=O)CC(NC3CCCCCCCCC3)C2=O)C(=O)N1.
What is the InChIKey of 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is ZZJDJZIQSHOYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c23-16-11-10-15(18(25)21-16)22-17(24)12-14(19(22)26)20-13-8-6-4-2-1-3-5-7-9-13/h13-15,20H,1-12H2,(H,21,23,25).
What are the key properties of 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 363.46 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclodecylamino)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167099879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).