2-oxopiperidine-3-carboxamide

C6H10N2O2 — CID 3686578

IUPAC2-oxopiperidine-3-carboxamide
SMILESNC(=O)C1CCCNC1=O
InChIInChI=1S/C6H10N2O2/c7-5(9)4-2-1-3-8-6(4)10/h4H,1-3H2,(H2,7,9)(H,8,10)
InChIKeyINRMRRAPWZVXTQ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.00
Rot. Bonds1

About 2-oxopiperidine-3-carboxamide

2-oxopiperidine-3-carboxamide (PubChem CID 3686578) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxopiperidine-3-carboxamide
PubChem CID3686578
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-oxopiperidine-3-carboxamide
SMILESNC(=O)C1CCCNC1=O
InChIInChI=1S/C6H10N2O2/c7-5(9)4-2-1-3-8-6(4)10/h4H,1-3H2,(H2,7,9)(H,8,10)
InChIKeyINRMRRAPWZVXTQ-UHFFFAOYSA-N
XLogP-1.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxopiperidine-3-carboxamide?
The IUPAC name of 2-oxopiperidine-3-carboxamide (CID 3686578) is 2-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-oxopiperidine-3-carboxamide is NC(=O)C1CCCNC1=O.
What is the InChIKey of 2-oxopiperidine-3-carboxamide?
The InChIKey is INRMRRAPWZVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-5(9)4-2-1-3-8-6(4)10/h4H,1-3H2,(H2,7,9)(H,8,10).
What are the key properties of 2-oxopiperidine-3-carboxamide?
2-oxopiperidine-3-carboxamide has a molecular weight of 142.16 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3686578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).