1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide

C14H25N3O — CID 154278428

IUPAC1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
SMILESCC1(N2CCC(C(N)=O)CC2)CN2CCC1CC2
InChIInChI=1S/C14H25N3O/c1-14(10-16-6-4-12(14)5-7-16)17-8-2-11(3-9-17)13(15)18/h11-12H,2-10H2,1H3,(H2,15,18)
InChIKeyJXKMHAXRICBOJN-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.67
Rot. Bonds2

About 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide

1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide (PubChem CID 154278428) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
PubChem CID154278428
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
SMILESCC1(N2CCC(C(N)=O)CC2)CN2CCC1CC2
InChIInChI=1S/C14H25N3O/c1-14(10-16-6-4-12(14)5-7-16)17-8-2-11(3-9-17)13(15)18/h11-12H,2-10H2,1H3,(H2,15,18)
InChIKeyJXKMHAXRICBOJN-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide (CID 154278428) is 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide is CC1(N2CCC(C(N)=O)CC2)CN2CCC1CC2.
What is the InChIKey of 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The InChIKey is JXKMHAXRICBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(10-16-6-4-12(14)5-7-16)17-8-2-11(3-9-17)13(15)18/h11-12H,2-10H2,1H3,(H2,15,18).
What are the key properties of 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154278428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).