N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide

C15H27N3O — CID 55178355

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC2CN3CCC2CC3)CCNCC1
InChIInChI=1S/C15H27N3O/c1-2-15(5-7-16-8-6-15)14(19)17-13-11-18-9-3-12(13)4-10-18/h12-13,16H,2-11H2,1H3,(H,17,19)
InChIKeyVNRWDOMEXZSGNX-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.98
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide (PubChem CID 55178355) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide
PubChem CID55178355
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NC2CN3CCC2CC3)CCNCC1
InChIInChI=1S/C15H27N3O/c1-2-15(5-7-16-8-6-15)14(19)17-13-11-18-9-3-12(13)4-10-18/h12-13,16H,2-11H2,1H3,(H,17,19)
InChIKeyVNRWDOMEXZSGNX-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide (CID 55178355) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)NC2CN3CCC2CC3)CCNCC1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is VNRWDOMEXZSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-15(5-7-16-8-6-15)14(19)17-13-11-18-9-3-12(13)4-10-18/h12-13,16H,2-11H2,1H3,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 55178355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).