2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone

C17H30N2O2 — CID 119786515

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCCN(C(=O)CC2CC3CCC(C2)N3)C1
InChIInChI=1S/C17H30N2O2/c1-2-21-12-13-4-3-7-19(11-13)17(20)10-14-8-15-5-6-16(9-14)18-15/h13-16,18H,2-12H2,1H3
InChIKeyUJTHMUQOLXOMKW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.18
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone (PubChem CID 119786515) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
PubChem CID119786515
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC1CCCN(C(=O)CC2CC3CCC(C2)N3)C1
InChIInChI=1S/C17H30N2O2/c1-2-21-12-13-4-3-7-19(11-13)17(20)10-14-8-15-5-6-16(9-14)18-15/h13-16,18H,2-12H2,1H3
InChIKeyUJTHMUQOLXOMKW-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
CID 119807830
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 119867587
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
N-[3-[3-(ethoxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 110610301
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119939216
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
1-(4-acetyl-1,4-diazepan-1-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79610796
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 119763386
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79614821
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(methoxymethyl)morpholin-4-yl]ethanone
CID 119793029

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone (CID 119786515) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone is CCOCC1CCCN(C(=O)CC2CC3CCC(C2)N3)C1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is UJTHMUQOLXOMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-21-12-13-4-3-7-19(11-13)17(20)10-14-8-15-5-6-16(9-14)18-15/h13-16,18H,2-12H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 294.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 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)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119786515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).