1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione

C16H25N3O4 — CID 2984704

IUPAC1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(N2CCC(C(=O)N3CCOCC3)CC2)C1=O
InChIInChI=1S/C16H25N3O4/c1-2-19-14(20)11-13(16(19)22)17-5-3-12(4-6-17)15(21)18-7-9-23-10-8-18/h12-13H,2-11H2,1H3
InChIKeyCEKHXBWVSVZUMP-UHFFFAOYSA-N
MW323.39 g/mol
LogP-0.30
Rot. Bonds3

About 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione

1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2984704) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID2984704
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(N2CCC(C(=O)N3CCOCC3)CC2)C1=O
InChIInChI=1S/C16H25N3O4/c1-2-19-14(20)11-13(16(19)22)17-5-3-12(4-6-17)15(21)18-7-9-23-10-8-18/h12-13H,2-11H2,1H3
InChIKeyCEKHXBWVSVZUMP-UHFFFAOYSA-N
XLogP-0.30
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 646765
1-(2-Methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-YL]pyrrolidin-2-one
CID 91925811
(4S)-1-[[1-(4-methylpentanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 164636298
(4S)-1-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 164639742
2,2,2-trifluoro-1-[4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110286062
2,2,2-Trifluoro-1-[2-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110428439
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 126809155
4-[4-(Difluoromethyl)piperidine-1-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 127501019
2,2,2-trifluoro-1-[4-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 133683956
1-(2-Methylpropyl)-3-morpholin-4-ylazolidine-2,5-dione
CID 2987585
4-{[1-(2-Methoxyethyl)pyrrolidin-3-yl]carbonyl}-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56749658
1-[1-(3-Methyl-4-morpholin-4-ylpyrrolidin-1-yl)-1-oxopropan-2-yl]piperidin-2-one
CID 72122113

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 2984704) is 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione is CCN1C(=O)CC(N2CCC(C(=O)N3CCOCC3)CC2)C1=O.
What is the InChIKey of 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is CEKHXBWVSVZUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-2-19-14(20)11-13(16(19)22)17-5-3-12(4-6-17)15(21)18-7-9-23-10-8-18/h12-13H,2-11H2,1H3.
What are the key properties of 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 323.39 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2984704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).