2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride

C20H35ClN2O3 — CID 119815509

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C20H34N2O3.ClH/c23-20(13-15-11-16-4-5-17(12-15)21-16)22-8-6-18(7-9-22)25-14-19-3-1-2-10-24-19;/h15-19,21H,1-14H2;1H
InChIKeySJTRMANPGOJTMQ-UHFFFAOYSA-N
MW386.96 g/mol
LogP2.91
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119815509) has the molecular formula C20H35ClN2O3 and a molecular weight of 386.96 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119815509
Molecular FormulaC20H35ClN2O3
Molecular Weight386.96 g/mol
Exact Mass386.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C20H34N2O3.ClH/c23-20(13-15-11-16-4-5-17(12-15)21-16)22-8-6-18(7-9-22)25-14-19-3-1-2-10-24-19;/h15-19,21H,1-14H2;1H
InChIKeySJTRMANPGOJTMQ-UHFFFAOYSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.96
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119815525
3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119815521
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone
CID 119780018
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119341852
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
CID 79609187
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(methoxymethyl)morpholin-4-yl]ethanone
CID 119793029
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-phenylethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119741416
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119815503

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride (CID 119815509) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is SJTRMANPGOJTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3.ClH/c23-20(13-15-11-16-4-5-17(12-15)21-16)22-8-6-18(7-9-22)25-14-19-3-1-2-10-24-19;/h15-19,21H,1-14H2;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 386.96 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119815509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).