3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione

C14H25N3O2 — CID 54917477

IUPAC3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC2CCN(CC)CC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-3-7-17-13(18)10-12(14(17)19)15-11-5-8-16(4-2)9-6-11/h11-12,15H,3-10H2,1-2H3
InChIKeyQGSVUNCHVMOMGG-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.60
Rot. Bonds5

About 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione

3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione (PubChem CID 54917477) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione
PubChem CID54917477
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC2CCN(CC)CC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-3-7-17-13(18)10-12(14(17)19)15-11-5-8-16(4-2)9-6-11/h11-12,15H,3-10H2,1-2H3
InChIKeyQGSVUNCHVMOMGG-UHFFFAOYSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.60
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

3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
1-cyclopropyl-3-[(1-ethylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 54917572
3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione
CID 114118968
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716
1-ethyl-3-[(3-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 114545469
3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 54959119
1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
CID 64656132
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60923821
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54926953
1-ethyl-3-(oxolan-3-ylamino)pyrrolidine-2,5-dione
CID 80713003
3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 43636728

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione (CID 54917477) is 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NC2CCN(CC)CC2)C1=O.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione?
The InChIKey is QGSVUNCHVMOMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-7-17-13(18)10-12(14(17)19)15-11-5-8-16(4-2)9-6-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione?
3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 54917477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).