3-tert-butyl-N-ethylpiperidine-1-carboxamide

C12H24N2O — CID 59751413

IUPAC3-tert-butyl-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-5-13-11(15)14-8-6-7-10(9-14)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyJUNKEFHGWMMSHL-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds1

About 3-tert-butyl-N-ethylpiperidine-1-carboxamide

3-tert-butyl-N-ethylpiperidine-1-carboxamide (PubChem CID 59751413) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-tert-butyl-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-ethylpiperidine-1-carboxamide
PubChem CID59751413
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-tert-butyl-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O/c1-5-13-11(15)14-8-6-7-10(9-14)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyJUNKEFHGWMMSHL-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-ethylpiperidine-1-carboxamide (CID 59751413) is 3-tert-butyl-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-N-ethylpiperidine-1-carboxamide?
The InChIKey is JUNKEFHGWMMSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-13-11(15)14-8-6-7-10(9-14)12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 3-tert-butyl-N-ethylpiperidine-1-carboxamide?
3-tert-butyl-N-ethylpiperidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 59751413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).