[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride

C14H25ClN2O2 — CID 154911024

IUPAC[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCOC1[C@@H]2CC[C@H]1CN(C(=O)C1CCCNC1)C2.Cl
InChIInChI=1S/C14H24N2O2.ClH/c1-18-13-11-4-5-12(13)9-16(8-11)14(17)10-3-2-6-15-7-10;/h10-13,15H,2-9H2,1H3;1H/t10?,11-,12+,13?;
InChIKeySTOQXNUCTUQUPN-VSFMSVLVSA-N
MW288.82 g/mol
LogP1.29
Rot. Bonds2

About [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride

[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride (PubChem CID 154911024) has the molecular formula C14H25ClN2O2 and a molecular weight of 288.82 g/mol. Its IUPAC name is [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride
PubChem CID154911024
Molecular FormulaC14H25ClN2O2
Molecular Weight288.82 g/mol
Exact Mass288.16
IUPAC Name[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCOC1[C@@H]2CC[C@H]1CN(C(=O)C1CCCNC1)C2.Cl
InChIInChI=1S/C14H24N2O2.ClH/c1-18-13-11-4-5-12(13)9-16(8-11)14(17)10-3-2-6-15-7-10;/h10-13,15H,2-9H2,1H3;1H/t10?,11-,12+,13?;
InChIKeySTOQXNUCTUQUPN-VSFMSVLVSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81123196
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-3-ylmethanone
CID 103840886
(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103533146
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl(piperidin-3-yl)methanone;hydrochloride
CID 119335062
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-3-yl)methanone
CID 121202092
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride (CID 154911024) is [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride is COC1[C@@H]2CC[C@H]1CN(C(=O)C1CCCNC1)C2.Cl.
What is the InChIKey of [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is STOQXNUCTUQUPN-VSFMSVLVSA-N. The full InChI is InChI=1S/C14H24N2O2.ClH/c1-18-13-11-4-5-12(13)9-16(8-11)14(17)10-3-2-6-15-7-10;/h10-13,15H,2-9H2,1H3;1H/t10?,11-,12+,13?;.
What are the key properties of [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride?
[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 154911024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).