2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide

C17H31N3O — CID 79610567

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCN1CCCCCC1
InChIInChI=1S/C17H31N3O/c21-17(13-14-11-15-5-6-16(12-14)19-15)18-7-10-20-8-3-1-2-4-9-20/h14-16,19H,1-13H2,(H,18,21)
InChIKeyXBLGAGXCACULGW-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.90
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide (PubChem CID 79610567) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
PubChem CID79610567
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCN1CCCCCC1
InChIInChI=1S/C17H31N3O/c21-17(13-14-11-15-5-6-16(12-14)19-15)18-7-10-20-8-3-1-2-4-9-20/h14-16,19H,1-13H2,(H,18,21)
InChIKeyXBLGAGXCACULGW-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
CID 119831249
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]acetamide
CID 119895441
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119851024
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850948
2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 63613064
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
CID 119875446
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739227
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 79607356
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide (CID 79610567) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCCN1CCCCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The InChIKey is XBLGAGXCACULGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c21-17(13-14-11-15-5-6-16(12-14)19-15)18-7-10-20-8-3-1-2-4-9-20/h14-16,19H,1-13H2,(H,18,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide has a molecular weight of 293.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 79610567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).