N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide

C14H25N3O — CID 104596076

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NC2CN3CCC2CC3)CCCCN1
InChIInChI=1S/C14H25N3O/c1-14(6-2-3-7-15-14)13(18)16-12-10-17-8-4-11(12)5-9-17/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyXGVOOJFZBJYDOA-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.73
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596076) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide
PubChem CID104596076
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NC2CN3CCC2CC3)CCCCN1
InChIInChI=1S/C14H25N3O/c1-14(6-2-3-7-15-14)13(18)16-12-10-17-8-4-11(12)5-9-17/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyXGVOOJFZBJYDOA-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpyrrolidine-3-carboxamide
CID 63138598
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide
CID 104596177
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708403
2-methyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 131019627
N-(1-tert-butylpiperidin-4-yl)-2-methylpiperidine-2-carboxamide
CID 104596354
(2S)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
CID 92614973
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240963
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-carbamothioylcyclobutane-1-carboxamide
CID 80591990
2-methyl-N-(2-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 122081327
N-(2-imidazol-1-ylcyclopentyl)-2-methylpiperidine-2-carboxamide
CID 104596326
N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 111425069
N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide
CID 18072827

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide (CID 104596076) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)NC2CN3CCC2CC3)CCCCN1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide?
The InChIKey is XGVOOJFZBJYDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(6-2-3-7-15-14)13(18)16-12-10-17-8-4-11(12)5-9-17/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpiperidine-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.73, 2 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)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).