1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide

C12H22N2O2 — CID 58601017

IUPAC1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide
SMILESCCNC(=O)C1CN(C(C)(C)C)CCC1=O
InChIInChI=1S/C12H22N2O2/c1-5-13-11(16)9-8-14(12(2,3)4)7-6-10(9)15/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyHLGWGUBUIZNISF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds2

About 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide

1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide (PubChem CID 58601017) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide
PubChem CID58601017
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide
SMILESCCNC(=O)C1CN(C(C)(C)C)CCC1=O
InChIInChI=1S/C12H22N2O2/c1-5-13-11(16)9-8-14(12(2,3)4)7-6-10(9)15/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyHLGWGUBUIZNISF-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide (CID 58601017) is 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide is CCNC(=O)C1CN(C(C)(C)C)CCC1=O.
What is the InChIKey of 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide?
The InChIKey is HLGWGUBUIZNISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-13-11(16)9-8-14(12(2,3)4)7-6-10(9)15/h9H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide?
1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-ethyl-4-oxopiperidine-3-carboxamide is sourced from PubChem (CID 58601017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).