N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide

C17H29N3O2 — CID 91948710

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide
SMILESO=C(CCCC(=O)N1CCCCC1)NC1CN2CCC1CC2
InChIInChI=1S/C17H29N3O2/c21-16(18-15-13-19-11-7-14(15)8-12-19)5-4-6-17(22)20-9-2-1-3-10-20/h14-15H,1-13H2,(H,18,21)
InChIKeyUIBHDNMZSUWCCT-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide (PubChem CID 91948710) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide
PubChem CID91948710
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide
SMILESO=C(CCCC(=O)N1CCCCC1)NC1CN2CCC1CC2
InChIInChI=1S/C17H29N3O2/c21-16(18-15-13-19-11-7-14(15)8-12-19)5-4-6-17(22)20-9-2-1-3-10-20/h14-15H,1-13H2,(H,18,21)
InChIKeyUIBHDNMZSUWCCT-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
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)-5-oxo-5-piperidin-1-ylpentanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide (CID 91948710) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide is O=C(CCCC(=O)N1CCCCC1)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide?
The InChIKey is UIBHDNMZSUWCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(18-15-13-19-11-7-14(15)8-12-19)5-4-6-17(22)20-9-2-1-3-10-20/h14-15H,1-13H2,(H,18,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide has a molecular weight of 307.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 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)-5-oxo-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 91948710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).