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

C14H25N3O — CID 118254849

IUPACN-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2CCNCC2)CN2CCC1CC2
InChIInChI=1S/C14H25N3O/c1-14(10-17-8-4-12(14)5-9-17)16-13(18)11-2-6-15-7-3-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyFTPZCJPKNBMWGH-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.59
Rot. Bonds2

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

N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide (PubChem CID 118254849) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
PubChem CID118254849
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2CCNCC2)CN2CCC1CC2
InChIInChI=1S/C14H25N3O/c1-14(10-17-8-4-12(14)5-9-17)16-13(18)11-2-6-15-7-3-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyFTPZCJPKNBMWGH-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide (CID 118254849) is N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide is CC1(NC(=O)C2CCNCC2)CN2CCC1CC2.
What is the InChIKey of N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
The InChIKey is FTPZCJPKNBMWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(10-17-8-4-12(14)5-9-17)16-13(18)11-2-6-15-7-3-11/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide?
N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118254849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).