2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride

C17H31ClN2O2 — CID 119782067

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride
SMILESCC(C)CC1COCCN1C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C17H30N2O2.ClH/c1-12(2)7-16-11-21-6-5-19(16)17(20)10-13-8-14-3-4-15(9-13)18-14;/h12-16,18H,3-11H2,1-2H3;1H
InChIKeyLFTQTHJWRPIQGB-UHFFFAOYSA-N
MW330.90 g/mol
LogP2.60
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride (PubChem CID 119782067) has the molecular formula C17H31ClN2O2 and a molecular weight of 330.90 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride
PubChem CID119782067
Molecular FormulaC17H31ClN2O2
Molecular Weight330.90 g/mol
Exact Mass330.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride
SMILESCC(C)CC1COCCN1C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C17H30N2O2.ClH/c1-12(2)7-16-11-21-6-5-19(16)17(20)10-13-8-14-3-4-15(9-13)18-14;/h12-16,18H,3-11H2,1-2H3;1H
InChIKeyLFTQTHJWRPIQGB-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride with MolForge

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Related Compounds

4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
CID 79615257
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride
CID 119822367
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-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79614899
4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one
CID 120592120
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 103814616
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79606856
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834264
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 95380643
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79607697

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride (CID 119782067) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride is CC(C)CC1COCCN1C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride?
The InChIKey is LFTQTHJWRPIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2.ClH/c1-12(2)7-16-11-21-6-5-19(16)17(20)10-13-8-14-3-4-15(9-13)18-14;/h12-16,18H,3-11H2,1-2H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride has a molecular weight of 330.90 g/mol, XLogP of 2.60, 4 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-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 119782067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).