1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone

C17H25N5O2 — CID 119101724

IUPAC1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2C3CCC2CC(n2nccn2)C3)CC1
InChIInChI=1S/C17H25N5O2/c1-12(23)20-8-4-13(5-9-20)17(24)21-14-2-3-15(21)11-16(10-14)22-18-6-7-19-22/h6-7,13-16H,2-5,8-11H2,1H3
InChIKeyXFAXGPNVNJVJIV-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.23
Rot. Bonds2

About 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone

1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone (PubChem CID 119101724) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone
PubChem CID119101724
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2C3CCC2CC(n2nccn2)C3)CC1
InChIInChI=1S/C17H25N5O2/c1-12(23)20-8-4-13(5-9-20)17(24)21-14-2-3-15(21)11-16(10-14)22-18-6-7-19-22/h6-7,13-16H,2-5,8-11H2,1H3
InChIKeyXFAXGPNVNJVJIV-UHFFFAOYSA-N
XLogP1.23
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone 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 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone (CID 119101724) is 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2C3CCC2CC(n2nccn2)C3)CC1.
What is the InChIKey of 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is XFAXGPNVNJVJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(23)20-8-4-13(5-9-20)17(24)21-14-2-3-15(21)11-16(10-14)22-18-6-7-19-22/h6-7,13-16H,2-5,8-11H2,1H3.
What are the key properties of 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone?
1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 331.42 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 119101724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).