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

C14H25N3O — CID 62340806

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C14H25N3O/c1-10-3-2-6-15-13(10)14(18)16-12-9-17-7-4-11(12)5-8-17/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyHTCXURRQTFOGAD-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.58
Rot. Bonds2

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide (PubChem CID 62340806) 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)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide
PubChem CID62340806
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C14H25N3O/c1-10-3-2-6-15-13(10)14(18)16-12-9-17-7-4-11(12)5-8-17/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyHTCXURRQTFOGAD-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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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide
CID 18072827
N-(2,3-dimethylcyclohexyl)-3-methylpiperidine-2-carboxamide
CID 55060363
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide
CID 107221723
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide
CID 24695324
3-methyl-N-(oxetan-3-yl)piperidine-2-carboxamide
CID 107068369
N-(3-hydroxycyclohexyl)-3-methylpiperidine-2-carboxamide
CID 107067254
3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide
CID 106256043
3-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 62339292
N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
CID 55059944
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
1-(3-methylpiperidin-2-yl)ethanone
CID 54775356

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide (CID 62340806) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide?
The InChIKey is HTCXURRQTFOGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-3-2-6-15-13(10)14(18)16-12-9-17-7-4-11(12)5-8-17/h10-13,15H,2-9H2,1H3,(H,16,18).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-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)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 62340806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).