[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride

C13H25ClN2O2 — CID 119341197

IUPAC[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCCOCC1CCN(C(=O)C2CCCNC2)C1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-17-10-11-5-7-15(9-11)13(16)12-4-3-6-14-8-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyKJPMABKNBVSTPT-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.29
Rot. Bonds4

About [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride

[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride (PubChem CID 119341197) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
PubChem CID119341197
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCCOCC1CCN(C(=O)C2CCCNC2)C1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-17-10-11-5-7-15(9-11)13(16)12-4-3-6-14-8-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyKJPMABKNBVSTPT-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(ethoxymethyl)pyrrolidin-1-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

[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119337253
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119895885
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 97100937
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120633122
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride (CID 119341197) is [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride is CCOCC1CCN(C(=O)C2CCCNC2)C1.Cl.
What is the InChIKey of [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is KJPMABKNBVSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-2-17-10-11-5-7-15(9-11)13(16)12-4-3-6-14-8-12;/h11-12,14H,2-10H2,1H3;1H.
What are the key properties of [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119341197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).