4-oxopiperidine-2,6-dicarboxamide

C7H11N3O3 — CID 78315101

IUPAC4-oxopiperidine-2,6-dicarboxamide
SMILESNC(=O)C1CC(=O)CC(C(N)=O)N1
InChIInChI=1S/C7H11N3O3/c8-6(12)4-1-3(11)2-5(10-4)7(9)13/h4-5,10H,1-2H2,(H2,8,12)(H2,9,13)
InChIKeyYPKJWGGXHQVRGH-UHFFFAOYSA-N
MW185.18 g/mol
LogP-2.35
Rot. Bonds2

About 4-oxopiperidine-2,6-dicarboxamide

4-oxopiperidine-2,6-dicarboxamide (PubChem CID 78315101) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-oxopiperidine-2,6-dicarboxamide.

Molecular Properties

Compound Name4-oxopiperidine-2,6-dicarboxamide
PubChem CID78315101
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name4-oxopiperidine-2,6-dicarboxamide
SMILESNC(=O)C1CC(=O)CC(C(N)=O)N1
InChIInChI=1S/C7H11N3O3/c8-6(12)4-1-3(11)2-5(10-4)7(9)13/h4-5,10H,1-2H2,(H2,8,12)(H2,9,13)
InChIKeyYPKJWGGXHQVRGH-UHFFFAOYSA-N
XLogP-2.35
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-azetidine-2,4-dicarboxamide
CID 14654422
(2R,5R)-pyrrolidine-2,5-dicarboxamide
CID 93496955
5-amino-6-oxopiperidine-2-carboxamide
CID 45083196
6-methyl-4-oxopiperidine-2-carboxylic acid
CID 78053770
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650
4-aminopyrrolidine-2-carboxamide
CID 54213841
(2R,4R)-4-aminopyrrolidine-2-carboxamide
CID 58079537
4-methyl-6-oxopiperidine-2-carboxamide
CID 130643778
ethyl (2R,6R)-6-methyl-4-oxopiperidine-2-carboxylate
CID 11816280
1-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 57259590
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 58594265
trans-(1R,2R)-2-aminocyclopropane-1-carboxamide
CID 89465194

Frequently Asked Questions

What is the IUPAC name of 4-oxopiperidine-2,6-dicarboxamide?
The IUPAC name of 4-oxopiperidine-2,6-dicarboxamide (CID 78315101) is 4-oxopiperidine-2,6-dicarboxamide.
What is the SMILES notation for 4-oxopiperidine-2,6-dicarboxamide?
The canonical SMILES for 4-oxopiperidine-2,6-dicarboxamide is NC(=O)C1CC(=O)CC(C(N)=O)N1.
What is the InChIKey of 4-oxopiperidine-2,6-dicarboxamide?
The InChIKey is YPKJWGGXHQVRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-6(12)4-1-3(11)2-5(10-4)7(9)13/h4-5,10H,1-2H2,(H2,8,12)(H2,9,13).
What are the key properties of 4-oxopiperidine-2,6-dicarboxamide?
4-oxopiperidine-2,6-dicarboxamide has a molecular weight of 185.18 g/mol, XLogP of -2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopiperidine-2,6-dicarboxamide is sourced from PubChem (CID 78315101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).