N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide

C14H25N3O — CID 62689683

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)NC1CN2CCC1CC2
InChIInChI=1S/C14H25N3O/c18-14(8-11-2-1-5-15-9-11)16-13-10-17-6-3-12(13)4-7-17/h11-13,15H,1-10H2,(H,16,18)
InChIKeyMGJREXOXYZVCKP-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.59
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide (PubChem CID 62689683) 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-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide
PubChem CID62689683
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)NC1CN2CCC1CC2
InChIInChI=1S/C14H25N3O/c18-14(8-11-2-1-5-15-9-11)16-13-10-17-6-3-12(13)4-7-17/h11-13,15H,1-10H2,(H,16,18)
InChIKeyMGJREXOXYZVCKP-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide (CID 62689683) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide is O=C(CC1CCCNC1)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide?
The InChIKey is MGJREXOXYZVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14(8-11-2-1-5-15-9-11)16-13-10-17-6-3-12(13)4-7-17/h11-13,15H,1-10H2,(H,16,18).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-3-ylacetamide has a molecular weight of 251.37 g/mol, XLogP of 0.59, 3 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-piperidin-3-ylacetamide is sourced from PubChem (CID 62689683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).