1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide

C12H19N3O3 — CID 2936261

IUPAC1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCCN1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O
InChIInChI=1S/C12H19N3O3/c1-2-15-10(16)7-9(12(15)18)14-5-3-8(4-6-14)11(13)17/h8-9H,2-7H2,1H3,(H2,13,17)
InChIKeyWJQSOAVUYCKQHE-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.67
Rot. Bonds3

About 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide

1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide (PubChem CID 2936261) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
PubChem CID2936261
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCCN1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O
InChIInChI=1S/C12H19N3O3/c1-2-15-10(16)7-9(12(15)18)14-5-3-8(4-6-14)11(13)17/h8-9H,2-7H2,1H3,(H2,13,17)
InChIKeyWJQSOAVUYCKQHE-UHFFFAOYSA-N
XLogP-0.67
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.67
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-[4-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide
CID 3631511
1-(2,5-Dioxoazolidin-3-yl)piperidine-4-carboxamide
CID 2877348
1'-(1-Methyl-2,5-dioxopyrrolidin-3-yl)-1,4'-bipiperidine-4'-carboxamide
CID 586837
(2S)-2-(4-ethyl-2-oxopyrrolidin-1-yl)butanamide
CID 9942405
3-[4-(1-Azepanylcarbonyl)-1-piperidinyl]-1-ethyl-2,5-pyrrolidinedione
CID 2980623
3-(4-Ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2989013
1-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 2859665
1-(2,5-Dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2936270
3-[4-(1-Piperidinylcarbonyl)-1-piperidinyl]-2,5-pyrrolidinedione
CID 2979075
2-[4-(1-ethyl-2,5-dioxo-3-pyrrolidinyl)-1-piperazinyl]-N-isopropylacetamide
CID 2983546
1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 44367397
3-Acetamino-6-isobutyl-2,5-dioxopiperazine
CID 11413522

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide (CID 2936261) is 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide is CCN1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O.
What is the InChIKey of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide?
The InChIKey is WJQSOAVUYCKQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-15-10(16)7-9(12(15)18)14-5-3-8(4-6-14)11(13)17/h8-9H,2-7H2,1H3,(H2,13,17).
What are the key properties of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide?
1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2936261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).