2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone

C18H32N2O2 — CID 119780018

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone
SMILESCCCOC1CCCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C18H32N2O2/c1-2-10-22-17-4-3-8-20(9-7-17)18(21)13-14-11-15-5-6-16(12-14)19-15/h14-17,19H,2-13H2,1H3
InChIKeyDBFNWPGTKCZRKR-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.71
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone (PubChem CID 119780018) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone
PubChem CID119780018
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone
SMILESCCCOC1CCCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C18H32N2O2/c1-2-10-22-17-4-3-8-20(9-7-17)18(21)13-14-11-15-5-6-16(12-14)19-15/h14-17,19H,2-13H2,1H3
InChIKeyDBFNWPGTKCZRKR-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-phenylethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119741416
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-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79607933
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119815509
2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119184663
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
CID 119807830
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103165089

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone (CID 119780018) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone is CCCOC1CCCN(C(=O)CC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone?
The InChIKey is DBFNWPGTKCZRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-2-10-22-17-4-3-8-20(9-7-17)18(21)13-14-11-15-5-6-16(12-14)19-15/h14-17,19H,2-13H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone has a molecular weight of 308.47 g/mol, XLogP of 2.71, 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-(4-propoxyazepan-1-yl)ethanone is sourced from PubChem (CID 119780018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).