3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide

C23H30N4O4 — CID 167972718

IUPAC3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide
SMILESCCN1CC(C(=O)N2CC3CC(NC(=O)c4cccc(C(N)=O)c4)CC2C3)CCC1=O
InChIInChI=1S/C23H30N4O4/c1-2-26-13-17(6-7-20(26)28)23(31)27-12-14-8-18(11-19(27)9-14)25-22(30)16-5-3-4-15(10-16)21(24)29/h3-5,10,14,17-19H,2,6-9,11-13H2,1H3,(H2,24,29)(H,25,30)
InChIKeyVWCFRROTJVUFIW-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.15
Rot. Bonds5

About 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide

3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide (PubChem CID 167972718) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide
PubChem CID167972718
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide
SMILESCCN1CC(C(=O)N2CC3CC(NC(=O)c4cccc(C(N)=O)c4)CC2C3)CCC1=O
InChIInChI=1S/C23H30N4O4/c1-2-26-13-17(6-7-20(26)28)23(31)27-12-14-8-18(11-19(27)9-14)25-22(30)16-5-3-4-15(10-16)21(24)29/h3-5,10,14,17-19H,2,6-9,11-13H2,1H3,(H2,24,29)(H,25,30)
InChIKeyVWCFRROTJVUFIW-UHFFFAOYSA-N
XLogP1.15
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide (CID 167972718) is 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide is CCN1CC(C(=O)N2CC3CC(NC(=O)c4cccc(C(N)=O)c4)CC2C3)CCC1=O.
What is the InChIKey of 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide?
The InChIKey is VWCFRROTJVUFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-2-26-13-17(6-7-20(26)28)23(31)27-12-14-8-18(11-19(27)9-14)25-22(30)16-5-3-4-15(10-16)21(24)29/h3-5,10,14,17-19H,2,6-9,11-13H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide?
3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[6-(1-ethyl-6-oxopiperidine-3-carbonyl)-6-azabicyclo[3.2.1]octan-3-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 167972718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).