N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide

C14H25N3O — CID 24695324

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC2CN3CCC2CC3)CN1
InChIInChI=1S/C14H25N3O/c1-10-2-3-12(8-15-10)14(18)16-13-9-17-6-4-11(13)5-7-17/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyLDUDGOGQCNGPFW-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.58
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 24695324) 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)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide
PubChem CID24695324
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC2CN3CCC2CC3)CN1
InChIInChI=1S/C14H25N3O/c1-10-2-3-12(8-15-10)14(18)16-13-9-17-6-4-11(13)5-7-17/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyLDUDGOGQCNGPFW-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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)-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide (CID 24695324) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(=O)NC2CN3CCC2CC3)CN1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is LDUDGOGQCNGPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-2-3-12(8-15-10)14(18)16-13-9-17-6-4-11(13)5-7-17/h10-13,15H,2-9H2,1H3,(H,16,18).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.58, 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)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 24695324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).