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

C11H17N3O3 — CID 2859665

IUPAC1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCN1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O
InChIInChI=1S/C11H17N3O3/c1-13-9(15)6-8(11(13)17)14-4-2-7(3-5-14)10(12)16/h7-8H,2-6H2,1H3,(H2,12,16)
InChIKeyLTANHDXVPSDNFV-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.06
Rot. Bonds2

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

1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide (PubChem CID 2859665) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
PubChem CID2859665
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCN1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O
InChIInChI=1S/C11H17N3O3/c1-13-9(15)6-8(11(13)17)14-4-2-7(3-5-14)10(12)16/h7-8H,2-6H2,1H3,(H2,12,16)
InChIKeyLTANHDXVPSDNFV-UHFFFAOYSA-N
XLogP-1.06
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide (CID 2859665) is 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide is CN1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O.
What is the InChIKey of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide?
The InChIKey is LTANHDXVPSDNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-9(15)6-8(11(13)17)14-4-2-7(3-5-14)10(12)16/h7-8H,2-6H2,1H3,(H2,12,16).
What are the key properties of 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide?
1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2859665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).