2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide

C17H31N3O — CID 119875446

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
SMILESCCN1CCCCC1CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H31N3O/c1-2-20-8-4-3-5-16(20)12-18-17(21)11-13-9-14-6-7-15(10-13)19-14/h13-16,19H,2-12H2,1H3,(H,18,21)
InChIKeyBWXCWTHSXTXHSJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.90
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide (PubChem CID 119875446) 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-[(1-ethylpiperidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
PubChem CID119875446
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide
SMILESCCN1CCCCC1CNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H31N3O/c1-2-20-8-4-3-5-16(20)12-18-17(21)11-13-9-14-6-7-15(10-13)19-14/h13-16,19H,2-12H2,1H3,(H,18,21)
InChIKeyBWXCWTHSXTXHSJ-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

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 79610800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850948
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79610567
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide
CID 80601172
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-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide;hydrochloride
CID 119761458
(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081585
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119851024

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide (CID 119875446) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide is CCN1CCCCC1CNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide?
The InChIKey is BWXCWTHSXTXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-20-8-4-3-5-16(20)12-18-17(21)11-13-9-14-6-7-15(10-13)19-14/h13-16,19H,2-12H2,1H3,(H,18,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-ethylpiperidin-2-yl)methyl]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-[(1-ethylpiperidin-2-yl)methyl]acetamide is sourced from PubChem (CID 119875446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).